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Home Other Building Blocks 1-(1-(m-Tolyl)-1H-pyrazol-4-yl)ethanone

1-(1-(m-Tolyl)-1H-pyrazol-4-yl)ethanone

CAS No.:
1015846-08-8
Catalog Number:
AG0004W0
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG0004W0
Chemical Name:
1-(1-(m-Tolyl)-1H-pyrazol-4-yl)ethanone
CAS Number:
1015846-08-8
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD09055192
IUPAC Name:
1-[1-(3-methylphenyl)pyrazol-4-yl]ethanone
InChI:
InChI=1S/C12H12N2O/c1-9-4-3-5-12(6-9)14-8-11(7-13-14)10(2)15/h3-8H,1-2H3
InChI Key:
MIJZNNXCFVFLMM-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)n1ncc(c1)C(=O)C
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties