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Home > Boronic Acids > 1031226-45-5
1031226-45-5 | (3-Chloro-2,6-difluorophenyl)boronic acid
CAS No: 1031226-45-5 Catalog No: AG003BRO MDL No:MFCD04038753
Product Description
Catalog Number:
AG003BRO
Chemical Name:
(3-Chloro-2,6-difluorophenyl)boronic acid
CAS Number:
1031226-45-5
Molecular Formula:
C6H4BClF2O2
Molecular Weight:
192.3556
MDL Number:
MFCD04038753
IUPAC Name:
(3-chloro-2,6-difluorophenyl)boronic acid
InChI:
InChI=1S/C6H4BClF2O2/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2,11-12H
InChI Key:
ZSMAOKOKSOKHOU-UHFFFAOYSA-N
SMILES:
OB(c1c(F)ccc(c1F)Cl)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:
191.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.353g/mol
Monoisotopic Mass:
191.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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