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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
Names and Synonyms:
Bromofluoromethane
Methane, bromofluoro-
Bromofluoromethane
Fluorobromomethane
Identifiers:
SMILES:
FCBr
InChI:
InChI=1S/CH2BrF/c2-1-3/h1H2
Key Properties
Boiling Point
19 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 112.93 g/mol | CAS Common Chemistry |
| 112.929 g/mol | RDKit | |
| 111.932390384 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 | RDKit |
