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1218938-55-6 | 1H-Pyrazole, 5-chloro-3-ethenyl-1-(phenylmethyl)-
CAS No: 1218938-55-6 Catalog No: AG0016C0 MDL No:
Product Description
Catalog Number:
AG0016C0
Chemical Name:
1H-Pyrazole, 5-chloro-3-ethenyl-1-(phenylmethyl)-
CAS Number:
1218938-55-6
Molecular Formula:
C12H11ClN2
Molecular Weight:
218.6821
IUPAC Name:
1-benzyl-5-chloro-3-ethenylpyrazole
InChI:
InChI=1S/C12H11ClN2/c1-2-11-8-12(13)15(14-11)9-10-6-4-3-5-7-10/h2-8H,1,9H2
InChI Key:
MGEYTUHJGWGHJE-UHFFFAOYSA-N
SMILES:
C=Cc1nn(c(c1)Cl)Cc1ccccc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.684g/mol
Monoisotopic Mass:
218.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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