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Home > Boronic Acids > 1164100-84-8
1164100-84-8 | Boronic acid, B-(2-cyano-3-methoxyphenyl)-
CAS No: 1164100-84-8 Catalog No: AG000CET MDL No:MFCD10696671
Product Description
Catalog Number:
AG000CET
Chemical Name:
Boronic acid, B-(2-cyano-3-methoxyphenyl)-
CAS Number:
1164100-84-8
Molecular Formula:
C8H8BNO3
Molecular Weight:
176.9650
MDL Number:
MFCD10696671
IUPAC Name:
(2-cyano-3-methoxyphenyl)boronic acid
InChI:
InChI=1S/C8H8BNO3/c1-13-8-4-2-3-7(9(11)12)6(8)5-10/h2-4,11-12H,1H3
InChI Key:
GRHINHWGIHWEPE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C#N)B(O)O
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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