Basic information
- CAS
2585-30-0- Standard SMILES
O=C(Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
WAKIEGNWFGFZLM-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O3
- Average molar mass
- 276.67 g/mol
- Monoisotopic mass
- 276.03016983
Names & identifiers
- Preferred name
- N-(4-chlorophenyl)-4-nitrobenzamide
- IUPAC
- N-(4-chlorophenyl)-4-nitrobenzamide
- English name
- N-(4-chlorophenyl)-4-nitro-benzamide
- Molecular formula
- C13H9ClN2O3
- Molecular weight
- 276.68
Names & synonyms
N-(4-chlorophenyl)-4-nitrobenzamide2585-30-0N-(4-CHLOROPHENYL)-4-NITRO-BENZAMIDEMFCD00430502NSC41056CBMicro_009999Cambridge id 5129189Oprea1_535745Oprea1_784970SCHEMBL7372420DTXSID10948742WAKIEGNWFGFZLM-UHFFFAOYSA-N
Show more names
Benzamide, N-(4-chlorophenyl)-4-nitro-
Benzanilide, 4'-chloro-4-nitro-SMSF0003576NSC-41056STK2555314-Nitro-N-(4-chlorophenyl)benzamideAKOS000673078AS-9762CB12876
Database identifiers
- CAS
2585-30-0- PubChem CID
- 237476
- DTXSID
DTXSID10948742- Nikkaji
- J492.668D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety data
- hs_code
- 2924297099
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
1 records
Compound notes
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