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1001465-98-0 | 2-Propanone, 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-
CAS No: 1001465-98-0 Catalog No: AG00013X MDL No:MFCD03885076
Product Description
Catalog Number:
AG00013X
Chemical Name:
2-Propanone, 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-
CAS Number:
1001465-98-0
Molecular Formula:
C8H11ClN2O
Molecular Weight:
186.6387
MDL Number:
MFCD03885076
IUPAC Name:
1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-one
InChI:
InChI=1S/C8H11ClN2O/c1-5(12)4-11-7(3)8(9)6(2)10-11/h4H2,1-3H3
InChI Key:
GPRISQWWWQHPQJ-UHFFFAOYSA-N
SMILES:
CC(=O)Cn1nc(c(c1C)Cl)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.639g/mol
Monoisotopic Mass:
186.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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