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1278588-27-4 | 1H-Pyrazole, 5-chloro-3-ethenyl-1-ethyl-
CAS No: 1278588-27-4 Catalog No: AG000XHH MDL No:
Product Description
Catalog Number:
AG000XHH
Chemical Name:
1H-Pyrazole, 5-chloro-3-ethenyl-1-ethyl-
CAS Number:
1278588-27-4
Molecular Formula:
C7H9ClN2
Molecular Weight:
156.6128
IUPAC Name:
5-chloro-3-ethenyl-1-ethylpyrazole
InChI:
InChI=1S/C7H9ClN2/c1-3-6-5-7(8)10(4-2)9-6/h3,5H,1,4H2,2H3
InChI Key:
YNYNWJQYLZWJEL-UHFFFAOYSA-N
SMILES:
C=Cc1nn(c(c1)Cl)CC
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.613g/mol
Monoisotopic Mass:
156.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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