2,3,4,5-Tetrachloro-6-[(4-chloro-3-isopropoxycarbonyl-phenyl)carbamoyl]benzoic acid

HCID 503277
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Basic information

Standard SMILES
CC(C)OC(=O)c1cc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)ccc1Cl
InChIKey
JKTCEAGGRSSGMV-UHFFFAOYSA-N
Molecular formula
C18H12Cl5NO5
Average molar mass
499.5 g/mol

Names & identifiers

Preferred name
2,3,4,5-Tetrachloro-6-[(4-chloro-3-isopropoxycarbonyl-phenyl)carbamoyl]benzoic acid
IUPAC
2,3,4,5-tetrachloro-6-[(4-chloro-3-propan-2-yloxycarbonylphenyl)carbamoyl]benzoic acid

Names & synonyms

SCHEMBL9201230JKTCEAGGRSSGMV-UHFFFAOYSA-N2,3,4,5-tetrachloro-6-[(4-chloro-3-isopropoxycarbonyl-phenyl)carbamoyl]benzoic acid2,3,4,5-Tetrachloro-6-(N-{4-chloro-3-[(methylethyl)oxycarbonyl]phenyl}carbamoyl)benzoic acid2,3,4,5-Tetrachloro-6-[[[4-chloro-3-(1-methylethoxycarbonyl)phenyl]amino]carbonyl]benzoic acid

Database identifiers

PubChem CID
503277

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
92.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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