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Home > Boronic Acids > 16538-46-8
16538-46-8 | [2-(CYANOMETHYL)PHENYL]BORONIC ACID
CAS No: 16538-46-8 Catalog No: AG00AXNV MDL No:
Product Description
Catalog Number:
AG00AXNV
Chemical Name:
[2-(CYANOMETHYL)PHENYL]BORONIC ACID
CAS Number:
16538-46-8
IUPAC Name:
[2-(cyanomethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BNO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,11-12H,5H2
InChI Key:
GNWXFAMBRLCXFK-UHFFFAOYSA-N
Properties
Complexity:
187
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:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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