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Home > Boronic Acids > 1333265-27-2
1333265-27-2 | 2-Cyano-5-methoxyphenylboronic acid
CAS No: 1333265-27-2 Catalog No: AG00HSVP MDL No:
Product Description
Catalog Number:
AG00HSVP
Chemical Name:
2-Cyano-5-methoxyphenylboronic acid
CAS Number:
1333265-27-2
IUPAC Name:
(2-cyano-5-methoxyphenyl)boronic acid
InChI:
InChI=1S/C8H8BNO3/c1-13-7-3-2-6(5-10)8(4-7)9(11)12/h2-4,11-12H,1H3
InChI Key:
MCEMWCPYTYVVKF-UHFFFAOYSA-N
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.966g/mol
Monoisotopic Mass:
177.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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