Methyl 4-[amino(hydroxyimino)methyl]-2-chloro-5-fluorobenzoate

HCID 72307477
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Basic information

Standard SMILES
COC(=O)c1cc(F)c(C(N)=NO)cc1Cl
InChIKey
XOTINEGVCNVZMF-UHFFFAOYSA-N
Molecular formula
C9H8ClFN2O3
Average molar mass
246.62 g/mol
Monoisotopic mass
246.020748

Names & identifiers

Preferred name
Methyl 4-[amino(hydroxyimino)methyl]-2-chloro-5-fluorobenzoate
IUPAC
methyl 2-chloro-5-fluoro-4-(N'-hydroxycarbamimidoyl)benzoate

Names & synonyms

SCHEMBL2771425SCHEMBL2810660XOTINEGVCNVZMF-UHFFFAOYSA-Nmethyl 4-[amino(hydroxyimino)methyl]-2-chloro-5-fluorobenzoate

Database identifiers

PubChem CID
72307477

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
84.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
16

Related reactions

3 records
New reaction record

Compound notes

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