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1201643-70-0 | Boronic acid, B-(1-phenyl-1H-pyrazol-4-yl)-
CAS No: 1201643-70-0 Catalog No: AG000QFR MDL No:MFCD11044914
Product Description
Catalog Number:
AG000QFR
Chemical Name:
Boronic acid, B-(1-phenyl-1H-pyrazol-4-yl)-
CAS Number:
1201643-70-0
Molecular Formula:
C9H9BN2O2
Molecular Weight:
187.9910
MDL Number:
MFCD11044914
IUPAC Name:
(1-phenylpyrazol-4-yl)boronic acid
InChI:
InChI=1S/C9H9BN2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7,13-14H
InChI Key:
YHFFOAKRWYIKBG-UHFFFAOYSA-N
SMILES:
OB(c1cnn(c1)c1ccccc1)O
Properties
Complexity:
186
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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