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175137-18-5 | 1H-Pyrazole-4-carbonyl chloride, 1-(4-chlorophenyl)-5-propyl-
CAS No: 175137-18-5 Catalog No: AG0020B3 MDL No:
Product Description
Catalog Number:
AG0020B3
Chemical Name:
1H-Pyrazole-4-carbonyl chloride, 1-(4-chlorophenyl)-5-propyl-
CAS Number:
175137-18-5
Molecular Formula:
C13H12Cl2N2O
Molecular Weight:
283.1532
IUPAC Name:
1-(4-chlorophenyl)-5-propylpyrazole-4-carbonyl chloride
InChI:
InChI=1S/C13H12Cl2N2O/c1-2-3-12-11(13(15)18)8-16-17(12)10-6-4-9(14)5-7-10/h4-8H,2-3H2,1H3
InChI Key:
YLYXUXZCBMWGQV-UHFFFAOYSA-N
SMILES:
CCCc1c(cnn1c1ccc(cc1)Cl)C(=O)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.152g/mol
Monoisotopic Mass:
282.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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