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1227269-02-4 | Benzoic acid, 5-amino-2,3-difluoro-, methyl ester
CAS No: 1227269-02-4 Catalog No: AG000J48 MDL No:MFCD16875975
Product Description
Catalog Number:
AG000J48
Chemical Name:
Benzoic acid, 5-amino-2,3-difluoro-, methyl ester
CAS Number:
1227269-02-4
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
MDL Number:
MFCD16875975
IUPAC Name:
methyl 5-amino-2,3-difluorobenzoate
InChI:
InChI=1S/C8H7F2NO2/c1-13-8(12)5-2-4(11)3-6(9)7(5)10/h2-3H,11H2,1H3
InChI Key:
CMYVFGDGDDRZQO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)cc(c1F)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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