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Home > Boronic Acids > 628692-18-2
628692-18-2 | 2-PYRAZOL-1-YL-PHENYL-BORONIC ACID
CAS No: 628692-18-2 Catalog No: AG00E9YF MDL No:MFCD03916513
Product Description
Catalog Number:
AG00E9YF
Chemical Name:
2-PYRAZOL-1-YL-PHENYL-BORONIC ACID
CAS Number:
628692-18-2
Molecular Formula:
C9H9BN2O2
Molecular Weight:
187.9910
MDL Number:
MFCD03916513
IUPAC Name:
(2-pyrazol-1-ylphenyl)boronic acid
InChI:
InChI=1S/C9H9BN2O2/c13-10(14)8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7,13-14H
InChI Key:
GAVJVONZOSLZNN-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1n1cccn1)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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