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Home > Aldehydes > 1155589-37-9
1155589-37-9 | 1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No: 1155589-37-9 Catalog No: AG01AKBX MDL No:MFCD12103610
Product Description
Catalog Number:
AG01AKBX
Chemical Name:
1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1155589-37-9
Molecular Formula:
C13H13ClN2O
Molecular Weight:
248.7081
MDL Number:
MFCD12103610
IUPAC Name:
1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C13H13ClN2O/c1-9-13(8-17)10(2)16(15-9)7-11-3-5-12(14)6-4-11/h3-6,8H,7H2,1-2H3
InChI Key:
WFMZYZFOKIWISB-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1C)Cc1ccc(cc1)Cl
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.71g/mol
Monoisotopic Mass:
248.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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