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1072952-10-3 | (3-Amino-4,5-difluorophenyl)boronic acid
CAS No: 1072952-10-3 Catalog No: AG003IV3 MDL No:MFCD03095250
Product Description
Catalog Number:
AG003IV3
Chemical Name:
(3-Amino-4,5-difluorophenyl)boronic acid
CAS Number:
1072952-10-3
Molecular Formula:
C6H6BF2NO2
Molecular Weight:
172.9251
MDL Number:
MFCD03095250
IUPAC Name:
(3-amino-4,5-difluorophenyl)boronic acid
InChI:
InChI=1S/C6H6BF2NO2/c8-4-1-3(7(11)12)2-5(10)6(4)9/h1-2,11-12H,10H2
InChI Key:
KPRHAVKMMVFSJB-UHFFFAOYSA-N
SMILES:
OB(c1cc(N)c(c(c1)F)F)O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
172.926g/mol
Monoisotopic Mass:
173.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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