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Molecule
2-Amino-7-Bromofluorene
CAS: 6638-60-4 · C13H10BrN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6638-60-4
- Molecular Formula
- C13H10BrN
- Molecular Mass
- 260.13 g/mol
Identifiers
CAS Registry Number
6638-60-4
SMILES
Nc1ccc2c(c1)Cc1cc(Br)ccc1-2
InChI Key
RJWYTISHBMNMOZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H10BrN/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5,15H2
Names and Synonyms
- 2-Amino-7-Bromofluorene Synonym
- 9H-Fluoren-2-amine, 7-bromo- Synonym
- Fluoren-2-amine, 7-bromo- Synonym
- 7-Bromo-9H-fluoren-2-amine Synonym
- 2-Amino-7-bromofluorene Synonym
- 2-Bromo-7-aminofluorene Synonym
- NSC 48265 Synonym
- 7-Bromo-9H-fluoren-2-ylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.13 g/mol | CAS Common Chemistry |
| 260.134 g/mol | RDKit | |
| Canonical SMILES | BrC=1C=CC=2C3=CC=C(N)C=C3CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10BrN/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RJWYTISHBMNMOZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 146 °C | CAS Common Chemistry |
| Name | 2-Amino-7-bromofluorene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 3.602500000000002 | RDKit |
| 3.6025 | RDKit | |
| Molar Refractivity | 66.79640000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 258.99966142 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 260.13 g/mol. Edit any field — others recompute live.
