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872495-77-7 | Borinic acid, (4-chloro-2-fluorophenyl)(3-fluorophenyl)-
CAS No: 872495-77-7 Catalog No: AG004R1W MDL No:
Product Description
Catalog Number:
AG004R1W
Chemical Name:
Borinic acid, (4-chloro-2-fluorophenyl)(3-fluorophenyl)-
CAS Number:
872495-77-7
Molecular Formula:
C12H8BClF2O
Molecular Weight:
252.4521
IUPAC Name:
(4-chloro-2-fluorophenyl)-(3-fluorophenyl)borinic acid
InChI:
InChI=1S/C12H8BClF2O/c14-9-4-5-11(12(16)7-9)13(17)8-2-1-3-10(15)6-8/h1-7,17H
InChI Key:
PGRUFGBCIBLOLR-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)F)B(c1cccc(c1)F)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.452g/mol
Monoisotopic Mass:
252.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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