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306935-25-1 | Acetamide, 2-chloro-N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-
CAS No: 306935-25-1 Catalog No: AG0030US MDL No:
Product Description
Catalog Number:
AG0030US
Chemical Name:
Acetamide, 2-chloro-N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-
CAS Number:
306935-25-1
Molecular Formula:
C12H12ClN3O
Molecular Weight:
249.6962
IUPAC Name:
2-chloro-N-(2-methyl-5-phenylpyrazol-3-yl)acetamide
InChI:
InChI=1S/C12H12ClN3O/c1-16-11(14-12(17)8-13)7-10(15-16)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,17)
InChI Key:
WVJIBRQRQMRZHQ-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1cc(nn1C)c1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.698g/mol
Monoisotopic Mass:
249.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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