Basic information
- CAS
6136-62-5- Standard SMILES
N#Cc1cccc(C(=O)c2ccccc2)c1- InChIKey
ICRUXLLOLAPKFS-UHFFFAOYSA-N- Molecular formula
- C14H9NO
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.06841391
Names & identifiers
- Preferred name
- 3-Benzoylbenzonitrile
- IUPAC
- 3-benzoylbenzonitrile
- English name
- 3-benzoylbenzonitrile
- Molecular formula
- C14H9NO
- Molecular weight
- 207.22736
Names & synonyms
3-Benzoylbenzonitrile6136-62-5EINECS 228-109-0DTXSID90210272RefChem:93046DTXCID90132763228-109-03-CyanobenzophenoneSCHEMBL4201889SCHEMBL9856491SCHEMBL10457203ICRUXLLOLAPKFS-UHFFFAOYSA-N
Show more names
Benzonitrile, 3-benzoyl-
HS-6316NS00034658
Database identifiers
- CAS
6136-62-5- PubChem CID
- 80221
- DTXSID
DTXSID90210272- EC Number
- 228-109-0
- Nikkaji
- J227.316K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Chemistry & industry
Suppliers3 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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