4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid

HCID 3364665
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Basic information

CAS
162252-45-1
Standard SMILES
CC(=O)Nc1c(O)cc(C(=O)O)cc1[N+](=O)[O-]
InChIKey
JIDRTCHFBHJIDG-UHFFFAOYSA-N
Molecular formula
C9H8N2O6
Average molar mass
240.17 g/mol
Monoisotopic mass
240.03823598

Names & identifiers

Preferred name
4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid
IUPAC
4-acetamido-3-hydroxy-5-nitrobenzoic acid
English name
4-Acetamido-3-hydroxy-5-nitrobenzoic acid
Molecular formula
C9H8N2O6
Molecular weight
240.17

Names & synonyms

4-acetamido-3-hydroxy-5-nitrobenzoic acid162252-45-14-(Acetylamino)-3-hydroxy-5-nitrobenzoic acidDTXSID30391837RefChem:97317DTXCID403426984-Acetamido-3-hydroxy-5-nitrobenzoicacidCHEMBL324455BANA105SCHEMBL5571782JIDRTCHFBHJIDG-UHFFFAOYSA-NBDBM50478636
Show more names
Cinibide Tartaric acid impurity 5Benzoic acid, 4-(acetylamino)-3-hydroxy-5-nitro-
AKOS016007095DB08570PD0043194-acetamido-3-hydroxy-5-nitro-benzoic acidDB-340005NS00069380Q27097773

Database identifiers

CAS
162252-45-1
PubChem CID
3364665
DTXSID
DTXSID30391837
ChEMBL
CHEMBL324455
Nikkaji
J677.602G

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
132 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
17

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Boiling point
527.4 · 527.4±50.0 °C(Predicted)
Density
1.652 · 1.652±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
3.5 · 3.50±0.10(Predicted)

Chemistry & industry

Suppliers5 total

成都佰洋科技有限责任公司02861777709 13308012069
杭州杰恒化工有限公司0571-87396432 · [email protected]
石家庄耀博医药科技有限公司15633056635 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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