|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
33
Total Number of Articles : 36
|
| PubChem |
7505
|
| Molecular Formula |
C7H5N |
| SMILES |
C1=CC=C(C=C1)C#N |
| InChI |
InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H |
| synonyms |
- BENZONITRILE
- 100-47-0
- Cyanobenzene
- Phenyl cyanide
- Benzenenitrile
- Benzoic acid nitrile
- Benzene, cyano-
- Benzenecarbonitrile
- Phenylcyanide
- Fenylkyanid
- benzonitril
- NSC 8039
- HSDB 45
- CCRIS 3184
- AI3-24184
- UNII-9V9APP5H5S
- EINECS 202-855-7
- 9V9APP5H5S
- C6H5-CN
- DTXSID7021491
- CHEBI:27991
- NSC-8039
- DTXCID001491
- EC 202-855-7
- 202-855-7
- Fenylkyanid [Czech]
- UN2224
- MFCD00001770
- Benzonitrile [UN2224] [Poison]
- CAS-100-47-0
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|
| Properties |
| Property |
Value |
| MW |
103.12 g/mol |
| HBD |
0 |
| HBA |
1 |
| Rotatable Bond Count |
0 |
| Exact Mass |
103.042199164 g/mol |
| Monoisotopic Mass |
103.042199164 g/mol |
| Heavy Atom Count |
8 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
103 |
| xlogp |
1.6 |
| Topological Polar Surface Area |
23.8 |
|