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Home > Boronic Acids > 1451391-42-6
1451391-42-6 | (3-cyano-5-methylphenyl)boronicacid
CAS No: 1451391-42-6 Catalog No: AG00HXDH MDL No:MFCD03095102
Product Description
Catalog Number:
AG00HXDH
Chemical Name:
(3-cyano-5-methylphenyl)boronicacid
CAS Number:
1451391-42-6
Molecular Formula:
C8H8BNO2
Molecular Weight:
160.9656
MDL Number:
MFCD03095102
IUPAC Name:
(3-cyano-5-methylphenyl)boronic acid
InChI:
InChI=1S/C8H8BNO2/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,11-12H,1H3
InChI Key:
HOWMWRQDWIZJNA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1)B(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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