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Molecule
Bromofluoromethane
CAS: 373-52-4 · CH2BrF
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 373-52-4
- Molecular Formula
- CH2BrF
- Molecular Mass
- 112.93 g/mol
Identifiers
CAS Registry Number
373-52-4
SMILES
FCBr
InChI Key
LHMHCLYDBQOYTO-UHFFFAOYSA-N
InChI
InChI=1S/CH2BrF/c2-1-3/h1H2
Names and Synonyms
- Bromofluoromethane Common Name
- Methane, bromofluoro- Synonym
- Bromofluoromethane Synonym
- Fluorobromomethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 112.93 g/mol | CAS Common Chemistry |
| 112.929 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bromofluoromethane | CAS Common Chemistry |
| Boiling Point | 19 °C | CAS Common Chemistry |
| Canonical SMILES | FCBr | CAS Common Chemistry |
| InChI | InChI=1S/CH2BrF/c2-1-3/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LHMHCLYDBQOYTO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bromofluoromethane | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.3083 | RDKit |
| Molar Refractivity | 14.902000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 111.932390384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| 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 = 112.93 g/mol. Edit any field — others recompute live.
