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Home > Boronic Acids > 1801916-39-1
1801916-39-1 | (2-chloro-4,5-difluorophenyl)boronic acid
CAS No: 1801916-39-1 Catalog No: AG01DDXM MDL No:MFCD12911677
Product Description
Catalog Number:
AG01DDXM
Chemical Name:
(2-chloro-4,5-difluorophenyl)boronic acid
CAS Number:
1801916-39-1
Molecular Formula:
C6H4BClF2O2
Molecular Weight:
192.3556
MDL Number:
MFCD12911677
IUPAC Name:
(2-chloro-4,5-difluorophenyl)boronic acid
InChI:
InChI=1S/C6H4BClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H
InChI Key:
MSMGFPOBSXTDFW-UHFFFAOYSA-N
SMILES:
OB(c1cc(F)c(cc1Cl)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:
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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