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176387-54-5 | 5-CHLORO-1-PHENYL-3-PROPYL-1H-PYRAZOLE-4-CARBOXALDEHYDE
CAS No: 176387-54-5 Catalog No: AG00AX17 MDL No:MFCD09749617
Product Description
Catalog Number:
AG00AX17
Chemical Name:
5-CHLORO-1-PHENYL-3-PROPYL-1H-PYRAZOLE-4-CARBOXALDEHYDE
CAS Number:
176387-54-5
Molecular Formula:
C13H13ClN2O
Molecular Weight:
248.7081
MDL Number:
MFCD09749617
IUPAC Name:
5-chloro-1-phenyl-3-propylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C13H13ClN2O/c1-2-6-12-11(9-17)13(14)16(15-12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChI Key:
RZHVPNKNEWYHMQ-UHFFFAOYSA-N
SMILES:
CCCc1nn(c(c1C=O)Cl)c1ccccc1
Properties
Complexity:
256
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:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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