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350997-70-5 | 5-CHLORO-3-METHYL-1-P-TOLYL-1H-PYRAZOLE-4-CARBOXALDEHYDE
CAS No: 350997-70-5 Catalog No: AG003MO1 MDL No:MFCD01993680
Product Description
Catalog Number:
AG003MO1
Chemical Name:
5-CHLORO-3-METHYL-1-P-TOLYL-1H-PYRAZOLE-4-CARBOXALDEHYDE
CAS Number:
350997-70-5
Molecular Formula:
C12H11ClN2O
Molecular Weight:
234.6815
MDL Number:
MFCD01993680
IUPAC Name:
5-chloro-3-methyl-1-(4-methylphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H11ClN2O/c1-8-3-5-10(6-4-8)15-12(13)11(7-16)9(2)14-15/h3-7H,1-2H3
InChI Key:
KQWYKJSWCFJJFS-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1Cl)c1ccc(cc1)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.683g/mol
Monoisotopic Mass:
234.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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