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Home > Aldehydes > 1007192-89-3
1007192-89-3 | 1-(2-CHLORO-6-FLUOROBENZYL)-3-(3,4-DIMETHOXYPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 1007192-89-3 Catalog No: AG009M4J MDL No:MFCD03422370
Product Description
Catalog Number:
AG009M4J
Chemical Name:
1-(2-CHLORO-6-FLUOROBENZYL)-3-(3,4-DIMETHOXYPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
1007192-89-3
Molecular Formula:
C19H16ClFN2O3
Molecular Weight:
374.7933
MDL Number:
MFCD03422370
IUPAC Name:
1-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C19H16ClFN2O3/c1-25-17-7-6-12(8-18(17)26-2)19-13(11-24)9-23(22-19)10-14-15(20)4-3-5-16(14)21/h3-9,11H,10H2,1-2H3
InChI Key:
ZVHAIQMTDTWAAQ-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc(c(c1)OC)OC)Cc1c(F)cccc1Cl
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.083g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.796g/mol
Monoisotopic Mass:
374.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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