Basic information
- CAS
6262-27-7- Standard SMILES
O=C(Nc1ccccc1)c1cc(O)c(O)c(O)c1- InChIKey
HLVGXGQCLASQJU-UHFFFAOYSA-N- Molecular formula
- C13H11NO4
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.06880783
Names & identifiers
- Preferred name
- 3,4,5-Trihydroxy-N-Phenylbenzamide
- IUPAC
- 3,4,5-trihydroxy-N-phenylbenzamide
- English name
- 3,4,5-trihydroxybenzanilide
- Molecular formula
- C13H11NO4
- Molecular weight
- 245.23074
Names & synonyms
Gallanilide3,4,5-trihydroxy-N-phenylbenzamide6262-27-7DTXSID50211669RefChem:142169DTXCID30134160228-417-53,4,5-TrihydroxybenzanilideCHEMBL43782N-Phenyl-3,4,5-trihydroxybenzamidegallanilide (603)EINECS 228-417-5
Show more names
Benzamide, 3,4,5-trihydroxy-N-phenyl-
BRN 2740527Gallanilid2-12-00-00263 (Beilstein Handbook Reference)Benzamide, N-phenyl-3,4,5-trihydroxy-SCHEMBL1812080HLVGXGQCLASQJU-UHFFFAOYSA-NBDBM501425303,4,5-Trihydroxy-N-phenyl-benzamide
Database identifiers
- CAS
6262-27-7- PubChem CID
- 80427
- DTXSID
DTXSID50211669- ChEMBL
CHEMBL43782- EC Number
- 228-417-5
- Nikkaji
- J8.371B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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