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Home > Boronic Acids > 952514-79-3
952514-79-3 | [4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid
CAS No: 952514-79-3 Catalog No: AG00IIW5 MDL No:MFCD11045057
Product Description
Catalog Number:
AG00IIW5
Chemical Name:
[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid
CAS Number:
952514-79-3
Molecular Formula:
C19H15BN2O2
Molecular Weight:
314.1456
MDL Number:
MFCD11045057
IUPAC Name:
[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C19H15BN2O2/c23-20(24)15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13,23-24H
InChI Key:
PBSIVXAPTBHFFV-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)c1nc2c(n1c1ccccc1)cccc2)O
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.123g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.151g/mol
Monoisotopic Mass:
314.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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