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Home > Boronic Acids > 1008415-02-8
1008415-02-8 | Boronic acid, B-(3-chloro-4-cyanophenyl)-
CAS No: 1008415-02-8 Catalog No: AG0002ZJ MDL No:MFCD11504841
Product Description
Catalog Number:
AG0002ZJ
Chemical Name:
Boronic acid, B-(3-chloro-4-cyanophenyl)-
CAS Number:
1008415-02-8
Molecular Formula:
C7H5BClNO2
Molecular Weight:
181.3841
MDL Number:
MFCD11504841
IUPAC Name:
(3-chloro-4-cyanophenyl)boronic acid
InChI:
InChI=1S/C7H5BClNO2/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-3,11-12H
InChI Key:
QCJTUOIMDNJEHR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1Cl)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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