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Home > Boronic Acids > 180994-92-7
180994-92-7 | [3-(4-chlorophenyl)phenyl]boronic acid
CAS No: 180994-92-7 Catalog No: AG01B23X MDL No:MFCD08701736
Product Description
Catalog Number:
AG01B23X
Chemical Name:
[3-(4-chlorophenyl)phenyl]boronic acid
CAS Number:
180994-92-7
Molecular Formula:
C12H10BClO2
Molecular Weight:
232.4706
MDL Number:
MFCD08701736
IUPAC Name:
[3-(4-chlorophenyl)phenyl]boronic acid
InChI:
InChI=1S/C12H10BClO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8,15-16H
InChI Key:
OBMFOORMFRWPAP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cccc(c1)B(O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.47g/mol
Monoisotopic Mass:
232.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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