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660845-30-7 | 5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CAS No: 660845-30-7 Catalog No: AG0036W8 MDL No:MFCD12827692
Product Description
Catalog Number:
AG0036W8
Chemical Name:
5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
660845-30-7
Molecular Formula:
C6H5ClF2N2O
Molecular Weight:
194.5665
MDL Number:
MFCD12827692
IUPAC Name:
5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H5ClF2N2O/c1-11-5(7)3(2-12)4(10-11)6(8)9/h2,6H,1H3
InChI Key:
NMYPMEAFQUDCSC-UHFFFAOYSA-N
SMILES:
O=Cc1c(nn(c1Cl)C)C(F)F
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.006g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.566g/mol
Monoisotopic Mass:
194.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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