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Home > Boronic Acids > 313546-18-8
313546-18-8 | 2-METHYL-4-CYANOPHENYLBORONIC ACID
CAS No: 313546-18-8 Catalog No: AG00BYKW MDL No:MFCD09750473
Product Description
Catalog Number:
AG00BYKW
Chemical Name:
2-METHYL-4-CYANOPHENYLBORONIC ACID
CAS Number:
313546-18-8
Molecular Formula:
C8H8BNO2
Molecular Weight:
160.9656
MDL Number:
MFCD09750473
IUPAC Name:
(4-cyano-2-methylphenyl)boronic acid
InChI:
InChI=1S/C8H8BNO2/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,11-12H,1H3
InChI Key:
RGCVYEOTYJCNOS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)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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