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Home > Boronic Acids > 819070-53-6
819070-53-6 | 4-Chloro-2-cyanophenylboronic acid
CAS No: 819070-53-6 Catalog No: AG00566R MDL No:MFCD10696656
Product Description
Catalog Number:
AG00566R
Chemical Name:
4-Chloro-2-cyanophenylboronic acid
CAS Number:
819070-53-6
Molecular Formula:
C7H5BClNO2
Molecular Weight:
181.3841
MDL Number:
MFCD10696656
IUPAC Name:
(4-chloro-2-cyanophenyl)boronic acid
InChI:
InChI=1S/C7H5BClNO2/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3,11-12H
InChI Key:
SWBTXCSSSBWRQF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)ccc1B(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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