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1004194-08-4 | Ethanone, 1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-
CAS No: 1004194-08-4 Catalog No: AG0001XU MDL No:MFCD04968838
Product Description
Catalog Number:
AG0001XU
Chemical Name:
Ethanone, 1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-
CAS Number:
1004194-08-4
Molecular Formula:
C6H7ClN2O
Molecular Weight:
158.5856
MDL Number:
MFCD04968838
IUPAC Name:
1-(4-chloro-1-methylpyrazol-3-yl)ethanone
InChI:
InChI=1S/C6H7ClN2O/c1-4(10)6-5(7)3-9(2)8-6/h3H,1-2H3
InChI Key:
YRGNTRFMFVNZPK-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C(=O)C)Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.585g/mol
Monoisotopic Mass:
158.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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