4-(Acetylamino)-2-nitrobenzoic acid

HCID 73138
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Basic information

CAS
21573-29-5
Standard SMILES
CC(=O)Nc1ccc(C(=O)O)c([N+](=O)[O-])c1
InChIKey
DQKOLPCSICJNQJ-UHFFFAOYSA-N
Molecular formula
C9H8N2O5
Average molar mass
224.17 g/mol
Monoisotopic mass
224.04332136

Names & identifiers

Preferred name
4-(Acetylamino)-2-nitrobenzoic acid
IUPAC
4-acetamido-2-nitrobenzoic acid
English name
CBI-BB ZERO/006118
Molecular formula
C9H8N2O5
Molecular weight
224.17

Names & synonyms

4-(acetylamino)-2-nitrobenzoic acid21573-29-54-acetamido-2-nitrobenzoic acidBenzoic acid, 4-(acetylamino)-2-nitro-4-acetamido-2-nitro-benzoic acidMFCD00130065NSC202381P6L2ZS2CPCNSC 202381NSC-202381UNII-P6L2ZS2CPC4-acetamido-2-nitrobenzoicacid
Show more names
CBI-BB ZERO/006118
SCHEMBL8183777DTXSID801759224-acetylamino-2-nitrobenzoic acid4-Acetylamino-2-nitro-benzoic acidALBB-023300SBB013869STK664250AKOS003349400

Database identifiers

CAS
21573-29-5
PubChem CID
73138
DTXSID
DTXSID80175922
UNII
P6L2ZS2CPC
Nikkaji
J701.505D

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
112 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
16

Physicochemical properties

FDA UNII
6 L2ZS2CPC · P6L2ZS2CPC
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers1 total

南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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