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Home > Aldehydes > 139157-42-9
139157-42-9 | 1H-Pyrazole-4-carboxaldehyde, 3-chloro-5-phenyl-
CAS No: 139157-42-9 Catalog No: AG001AFE MDL No:
Product Description
Catalog Number:
AG001AFE
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-chloro-5-phenyl-
CAS Number:
139157-42-9
Molecular Formula:
C10H7ClN2O
Molecular Weight:
206.6284
IUPAC Name:
5-chloro-3-phenyl-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H7ClN2O/c11-10-8(6-14)9(12-13-10)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChI Key:
FHSRLMAXEZODQU-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)n[nH]c1c1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.629g/mol
Monoisotopic Mass:
206.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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