Basic information
- CAS
7221-31-0- Standard SMILES
O=C(O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1- InChIKey
ZZPQUGLIFJZPGU-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- 2-(4-Nitroanilino)benzoic acid
- IUPAC
- 2-(4-nitroanilino)benzoic acid
- English name
- 2-(4-Nitro-phenylamino)-benzoic acid
- Molecular formula
- C13H10N2O4
- Molecular weight
- 258.23
Names & synonyms
7221-31-02-(4-nitroanilino)benzoic acidAnthranilic acid, N-p-nitrophenyl-DTXSID50222538RefChem:1061324DTXCID801450292-((4-Nitrophenyl)amino)benzoic acid2-[(4-nitrophenyl)amino]benzoic acidN-p-Nitrophenylanthranilic acidBRN 2143451N-(4-Nitrophenyl)anthranilic acid2-(4-Nitro-phenylamino)-benzoic acid
Show more names
Benzoic acid, 2-[(4-nitrophenyl)amino]-
Oprea1_815368MLS000553570cid_201986SCHEMBL4251354SCHEMBL9551973CHEMBL1574420BDBM35901HMS2515H07
Database identifiers
- CAS
7221-31-0- PubChem CID
- 201986
- DTXSID
DTXSID50222538- ChEMBL
CHEMBL1574420- Nikkaji
- J55.259C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers3 total
上海欧堃化学有限公司(QQ 39130253)021-68712331 39130253 · [email protected]
德州朗维医药科技有限公司13761310616 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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