Home Other Building Blocks 4-benzoyl-1-methyl-1H-pyrazole

4-benzoyl-1-methyl-1H-pyrazole

CAS No.:
92525-13-8
Catalog Number:
AG01B89F
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
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Product Description
Catalog Number:
AG01B89F
Chemical Name:
4-benzoyl-1-methyl-1H-pyrazole
CAS Number:
92525-13-8
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD08700706
IUPAC Name:
(1-methylpyrazol-4-yl)-phenylmethanone
InChI:
InChI=1S/C11H10N2O/c1-13-8-10(7-12-13)11(14)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
YGZWBAHIQAMPQF-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C(=O)c1ccccc1
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties