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Home > Boronic Acids > 1256355-57-3
1256355-57-3 | Boronic acid, B-(5-cyano-2-hydroxyphenyl)-
CAS No: 1256355-57-3 Catalog No: AG000O42 MDL No:MFCD10697508
Product Description
Catalog Number:
AG000O42
Chemical Name:
Boronic acid, B-(5-cyano-2-hydroxyphenyl)-
CAS Number:
1256355-57-3
Molecular Formula:
C7H6BNO3
Molecular Weight:
162.9384
MDL Number:
MFCD10697508
IUPAC Name:
(5-cyano-2-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C7H6BNO3/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,10-12H
InChI Key:
QXWBHAJKEPWEBD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)B(O)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
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