Home Halogens 3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

CAS No.:
882231-91-6
Catalog Number:
AG00IF0K
Molecular Formula:
C18H15ClN2O2
Molecular Weight:
326.7769
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Product Description
Catalog Number:
AG00IF0K
Chemical Name:
3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
882231-91-6
Molecular Formula:
C18H15ClN2O2
Molecular Weight:
326.7769
MDL Number:
MFCD03972109
IUPAC Name:
3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C18H15ClN2O2/c1-2-23-17-9-8-13(10-16(17)19)18-14(12-22)11-21(20-18)15-6-4-3-5-7-15/h3-12H,2H2,1H3
InChI Key:
BCRFGADBBIQOOI-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Cl)c1nn(cc1C=O)c1ccccc1
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.082g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.78g/mol
Monoisotopic Mass:
326.082g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties