N-(4-chloro-o-tolyl)-2-[(4-methyl-2-nitrophenyl)azo]-3-oxobutyramide
Basic information
- CAS
13418-35-4- Standard SMILES
CC(=O)C(N=Nc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C- InChIKey
YKGFGBOGVZQVNV-UHFFFAOYSA-N- Molecular formula
- C18H17ClN4O4
- Average molar mass
- 388.8 g/mol
- Monoisotopic mass
- 388.0938327
Names & identifiers
- Preferred name
- N-(4-chloro-o-tolyl)-2-[(4-methyl-2-nitrophenyl)azo]-3-oxobutyramide
- IUPAC
- N-(4-chloro-2-methylphenyl)-2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanamide
Names & synonyms
13418-35-4N-(4-chloro-o-tolyl)-2-[(4-methyl-2-nitrophenyl)azo]-3-oxobutyramideN-(4-Chloro-o-tolyl)-2-((4-methyl-2-nitrophenyl)azo)-3-oxobutyramideEINECS 236-517-5YKGFGBOGVZQVNV-UHFFFAOYSA-NDTXSID101131043N-(4-chloro-2-methylphenyl)-2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanamideNS00054271N-(4-Chloro-2-methylphenyl)-2-[2-(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanamide
Database identifiers
- CAS
13418-35-4- PubChem CID
- 114516
- DTXSID
DTXSID101131043- EC Number
- 236-517-5
- Nikkaji
- J317.872B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 594
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Compound notes
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