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1001755-64-1 | Benzeneacetic acid, 4-amino-2,6-difluoro-
CAS No: 1001755-64-1 Catalog No: AG000156 MDL No:
Product Description
Catalog Number:
AG000156
Chemical Name:
Benzeneacetic acid, 4-amino-2,6-difluoro-
CAS Number:
1001755-64-1
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
IUPAC Name:
2-(4-amino-2,6-difluorophenyl)acetic acid
InChI:
InChI=1S/C8H7F2NO2/c9-6-1-4(11)2-7(10)5(6)3-8(12)13/h1-2H,3,11H2,(H,12,13)
InChI Key:
BMZKUVNEUOZSTB-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(F)cc(cc1F)N
Properties
Complexity:
189
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:
2
Isotope Atom Count:
0
Molecular Weight:
187.146g/mol
Monoisotopic Mass:
187.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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