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Home > Boronic Acids > 1328882-30-9
1328882-30-9 | Boronic acid, B-(2-cyano-4-methylphenyl)-
CAS No: 1328882-30-9 Catalog No: AG0011BP MDL No:MFCD18394414
Product Description
Catalog Number:
AG0011BP
Chemical Name:
Boronic acid, B-(2-cyano-4-methylphenyl)-
CAS Number:
1328882-30-9
Molecular Formula:
C8H8BNO2
Molecular Weight:
160.9656
MDL Number:
MFCD18394414
IUPAC Name:
(2-cyano-4-methylphenyl)boronic acid
InChI:
InChI=1S/C8H8BNO2/c1-6-2-3-8(9(11)12)7(4-6)5-10/h2-4,11-12H,1H3
InChI Key:
JNMAPBUMNAHKOU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)ccc1B(O)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.967g/mol
Monoisotopic Mass:
161.065g/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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