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Home > Boronic Acids > 871332-95-5
871332-95-5 | (4-Chloro-3-cyanophenyl);boronic acid
CAS No: 871332-95-5 Catalog No: AG004KM5 MDL No:MFCD08056360
Product Description
Catalog Number:
AG004KM5
Chemical Name:
(4-Chloro-3-cyanophenyl);boronic acid
CAS Number:
871332-95-5
Molecular Formula:
C7H5BClNO2
Molecular Weight:
181.3841
MDL Number:
MFCD08056360
IUPAC Name:
(4-chloro-3-cyanophenyl)boronic acid
InChI:
InChI=1S/C7H5BClNO2/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,11-12H
InChI Key:
PRPLADNLEYNYFZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Cl)B(O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.382g/mol
Monoisotopic Mass:
181.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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