Basic information
- CAS
54002-28-7- Standard SMILES
CC(=O)Nc1cccc(C(=O)O)c1[N+](=O)[O-]- InChIKey
FOXLFUZFWTYAME-UHFFFAOYSA-N- Molecular formula
- C9H8N2O5
- Average molar mass
- 224.17 g/mol
- Monoisotopic mass
- 224.04332136
Names & identifiers
- Preferred name
- 3-Acetamido-2-nitrobenzoic acid
- IUPAC
- 3-acetamido-2-nitrobenzoic acid
- English name
- 3-Acetylamino-2-nitrobenzoic acid
- Molecular formula
- C9H8N2O5
- Molecular weight
- 224.17
Names & synonyms
3-acetamido-2-nitrobenzoic acid54002-28-73-Acetylamino-2-nitrobenzoic acid3-Acetamido-2-nitro benzoic acidNSC159680acetamido-nitrobenzoic acidOprea1_8398363-acetamido-2-nitrobenzoicacidSCHEMBL2656516SCHEMBL9793680DTXSID50303654FOXLFUZFWTYAME-UHFFFAOYSA-N
Show more names
Benzoic acid, 3-(acetylamino)-2-nitro-
AKOS015970171NSC 159680NSC-159680DB-082377
Database identifiers
- CAS
54002-28-7- PubChem CID
- 293286
- DTXSID
DTXSID50303654- Nikkaji
- J1.414.200B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 312
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
2 records
Compound notes
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