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Basic information
- CAS
64594-44-1- Standard SMILES
Cc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
WBLNADQPUSRQIV-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.10044231
Overview
See also: 4-Nitrobenzo-2',6'-xylidide (annotation moved to).
Names & identifiers
- Preferred name
- N-(2,6-Dimethylphenyl)-4-nitrobenzamide
- IUPAC
- N-(2,6-dimethylphenyl)-4-nitrobenzamide
Names & synonyms
N-(2,6-Dimethylphenyl)-4-nitrobenzamide64594-44-1benzamide, n-(2,6-dimethylphenyl)-4-nitro-N-(2,6-Dimethylphenyl)-4-nitro-benzamideCBMicro_009799Oprea1_305603CHEMBL112463SCHEMBL7367686DTXSID90983212SMSF0005397STK037318AKOS003245273
Show more names
CB12641N-(2,6-Dimethylphenyl)-p-nitrobenzamide4-nitro-N-(2,6-dimethylphenyl) benzamide4-nitro-N-(2,6-dimethylphenyl)-benzamideBIM-0009764.P001N-(2,6-Dimethylphenyl)-4-nitrobenzamide #ST50693046N-(2,6-dimethylphenyl)(4-nitrophenyl)carboxamide
Database identifiers
- CAS
64594-44-1- PubChem CID
- 477704
- DTXSID
DTXSID90983212- ChEMBL
CHEMBL112463- Nikkaji
- J663.193B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Chemistry & industry
Suppliers2 total
西格玛奥德里奇(上海)贸易有限公司21-20338288 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
3 records
Compound notes
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