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125568-73-2 | Benzoic acid, 5-amino-2,4-difluoro-, methyl ester
CAS No: 125568-73-2 Catalog No: AG000NWV MDL No:MFCD09396710
Product Description
Catalog Number:
AG000NWV
Chemical Name:
Benzoic acid, 5-amino-2,4-difluoro-, methyl ester
CAS Number:
125568-73-2
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
MDL Number:
MFCD09396710
IUPAC Name:
methyl 5-amino-2,4-difluorobenzoate
InChI:
InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,11H2,1H3
InChI Key:
HHAREYZKVHGBEP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)c(cc1F)F
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.146g/mol
Monoisotopic Mass:
187.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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