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89198-45-8 | 1H-Pyrazole-5-carboxamide, 1-(2,6-dichlorophenyl)-N,N,4-trimethyl-
CAS No: 89198-45-8 Catalog No: AG003VJC MDL No:
Product Description
Catalog Number:
AG003VJC
Chemical Name:
1H-Pyrazole-5-carboxamide, 1-(2,6-dichlorophenyl)-N,N,4-trimethyl-
CAS Number:
89198-45-8
Molecular Formula:
C13H13Cl2N3O
Molecular Weight:
298.1678
IUPAC Name:
2-(2,6-dichlorophenyl)-N,N,4-trimethylpyrazole-3-carboxamide
InChI:
InChI=1S/C13H13Cl2N3O/c1-8-7-16-18(11(8)13(19)17(2)3)12-9(14)5-4-6-10(12)15/h4-7H,1-3H3
InChI Key:
TUXRZAOFVDBIRQ-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1c(C)cnn1c1c(Cl)cccc1Cl)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.167g/mol
Monoisotopic Mass:
297.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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