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872495-71-1 | Borinic acid, (4-chloro-3-methylphenyl)(4-cyanophenyl)-
CAS No: 872495-71-1 Catalog No: AG004R1Z MDL No:
Product Description
Catalog Number:
AG004R1Z
Chemical Name:
Borinic acid, (4-chloro-3-methylphenyl)(4-cyanophenyl)-
CAS Number:
872495-71-1
Molecular Formula:
C14H11BClNO
Molecular Weight:
255.5072
IUPAC Name:
(4-chloro-3-methylphenyl)-(4-cyanophenyl)borinic acid
InChI:
InChI=1S/C14H11BClNO/c1-10-8-13(6-7-14(10)16)15(18)12-4-2-11(9-17)3-5-12/h2-8,18H,1H3
InChI Key:
KBSRPSWXJCKFPJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)B(c1ccc(c(c1)C)Cl)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.508g/mol
Monoisotopic Mass:
255.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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