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306936-64-1 | 1H-Pyrazole-4-carbonyl chloride, 1-(3,5-dichlorophenyl)-5-propyl-
CAS No: 306936-64-1 Catalog No: AG0030XH MDL No:
Product Description
Catalog Number:
AG0030XH
Chemical Name:
1H-Pyrazole-4-carbonyl chloride, 1-(3,5-dichlorophenyl)-5-propyl-
CAS Number:
306936-64-1
Molecular Formula:
C13H11Cl3N2O
Molecular Weight:
317.5982
IUPAC Name:
1-(3,5-dichlorophenyl)-5-propylpyrazole-4-carbonyl chloride
InChI:
InChI=1S/C13H11Cl3N2O/c1-2-3-12-11(13(16)19)7-17-18(12)10-5-8(14)4-9(15)6-10/h4-7H,2-3H2,1H3
InChI Key:
TZOYLCXIRKLUQO-UHFFFAOYSA-N
SMILES:
CCCc1c(cnn1c1cc(Cl)cc(c1)Cl)C(=O)Cl
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.994g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.594g/mol
Monoisotopic Mass:
315.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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