Home Boronic acids 2-Cyano-4-hydroxyphenylboronic acid

2-Cyano-4-hydroxyphenylboronic acid

CAS No.:
1186420-91-6
Catalog Number:
AG00HEOJ
Molecular Formula:
C7H6BNO3
Molecular Weight:
162.9384
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Product Description
Catalog Number:
AG00HEOJ
Chemical Name:
2-Cyano-4-hydroxyphenylboronic acid
CAS Number:
1186420-91-6
Molecular Formula:
C7H6BNO3
Molecular Weight:
162.9384
MDL Number:
MFCD18384163
IUPAC Name:
(2-cyano-4-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C7H6BNO3/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,10-12H
InChI Key:
FWQFSZVOFOQNNC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(O)ccc1B(O)O
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.044g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
162.939g/mol
Monoisotopic Mass:
163.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties