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Home > Boronic Acids > 911210-49-6
911210-49-6 | (3-CYANO-4-METHYLPHENYL)BORONIC ACID
CAS No: 911210-49-6 Catalog No: AG00H1UZ MDL No:MFCD10697414
Product Description
Catalog Number:
AG00H1UZ
Chemical Name:
(3-CYANO-4-METHYLPHENYL)BORONIC ACID
CAS Number:
911210-49-6
Molecular Formula:
C8H8BNO2
Molecular Weight:
160.9656
MDL Number:
MFCD10697414
IUPAC Name:
(3-cyano-4-methylphenyl)boronic acid
InChI:
InChI=1S/C8H8BNO2/c1-6-2-3-8(9(11)12)4-7(6)5-10/h2-4,11-12H,1H3
InChI Key:
BFFJLRZTXUFIRI-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C)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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