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Home > Boronic Acids > 612833-37-1
612833-37-1 | Boronic acid, (5-cyano-2-methoxyphenyl)- (9CI)
CAS No: 612833-37-1 Catalog No: AG00EBO9 MDL No:MFCD06801691
Product Description
Catalog Number:
AG00EBO9
Chemical Name:
Boronic acid, (5-cyano-2-methoxyphenyl)- (9CI)
CAS Number:
612833-37-1
Molecular Formula:
C8H8BNO3
Molecular Weight:
176.9650
MDL Number:
MFCD06801691
IUPAC Name:
(5-cyano-2-methoxyphenyl)boronic acid
InChI:
InChI=1S/C8H8BNO3/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4,11-12H,1H3
InChI Key:
LDZCPLGOLLHOON-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(O)O)C#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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