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Home > Boronic Acids > 1571135-77-7
1571135-77-7 | Boronic acid, B-[2-(difluoromethyl)-4-pyridinyl]-
CAS No: 1571135-77-7 Catalog No: AG001P7X MDL No:
Product Description
Catalog Number:
AG001P7X
Chemical Name:
Boronic acid, B-[2-(difluoromethyl)-4-pyridinyl]-
CAS Number:
1571135-77-7
Molecular Formula:
C6H6BF2NO2
Molecular Weight:
172.9251
IUPAC Name:
[2-(difluoromethyl)pyridin-4-yl]boronic acid
InChI:
InChI=1S/C6H6BF2NO2/c8-6(9)5-3-4(7(11)12)1-2-10-5/h1-3,6,11-12H
InChI Key:
PNRZIRAJNBYBRN-UHFFFAOYSA-N
SMILES:
OB(c1ccnc(c1)C(F)F)O
Properties
Complexity:
148
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:
2
Isotope Atom Count:
0
Molecular Weight:
172.926g/mol
Monoisotopic Mass:
173.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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