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Home Other Building Blocks Methanone, phenyl-1H-pyrazol-3-yl-

Methanone, phenyl-1H-pyrazol-3-yl-

CAS No.:
19854-92-3
Catalog Number:
AG002BL4
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$188
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Product Description
Catalog Number:
AG002BL4
Chemical Name:
Methanone, phenyl-1H-pyrazol-3-yl-
CAS Number:
19854-92-3
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD08437287
IUPAC Name:
phenyl(1H-pyrazol-5-yl)methanone
InChI:
InChI=1S/C10H8N2O/c13-10(9-6-7-11-12-9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChI Key:
UYMQWGLCXYHTES-UHFFFAOYSA-N
SMILES:
O=C(c1n[nH]cc1)c1ccccc1
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Dichlorido(3,5-dimethyl-1H-pyrazole)[(3,5-dimethyl-1H-pyrazol-1-yl)(o-tol-yl)methanone]palladium(II). Acta crystallographica. Section E, Structure reports online 20080101
Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases. Biochemistry 20040817
Properties