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Home > Boronic Acids > 476620-22-1
476620-22-1 | (3-(1H-pyrazol-1-yl)phenyl)boronic acid
CAS No: 476620-22-1 Catalog No: AG0037FI MDL No:MFCD05864582
Product Description
Catalog Number:
AG0037FI
Chemical Name:
(3-(1H-pyrazol-1-yl)phenyl)boronic acid
CAS Number:
476620-22-1
Molecular Formula:
C9H9BN2O2
Molecular Weight:
187.9910
MDL Number:
MFCD05864582
IUPAC Name:
(3-pyrazol-1-ylphenyl)boronic acid
InChI:
InChI=1S/C9H9BN2O2/c13-10(14)8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7,13-14H
InChI Key:
NMBKAXJHGMDYGA-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)n1cccn1)O
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.993g/mol
Monoisotopic Mass:
188.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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