3-Amino-2-chloro-5-fluoro-4-methylbenzoic acid

HCID 13657440CAS 103877-83-4
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Basic information

Standard SMILES
Cc1c(F)cc(C(=O)O)c(Cl)c1N
InChIKey
WMZGCZNSZVNLMT-UHFFFAOYSA-N
Molecular formula
C8H7ClFNO2
Average molar mass
203.6 g/mol
Monoisotopic mass
203.01493436

Names & identifiers

Preferred name
3-Amino-2-chloro-5-fluoro-4-methylbenzoic acid
IUPAC
3-amino-2-chloro-5-fluoro-4-methylbenzoic acid

Names & synonyms

3-amino-2-chloro-5-fluoro-4-methylbenzoic acid103877-83-4SCHEMBL10625969WMZGCZNSZVNLMT-UHFFFAOYSA-NDTXSID5012493873-Amino-2-chloro-5-fluoro-4-methyl-benzoic acid

Database identifiers

CAS
103877-83-4
PubChem CID
13657440
DTXSID
DTXSID501249387

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
63.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
13

Related reactions

4 records
New reaction record

Linked notes

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