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876316-48-2 | 1H-Pyrazole,3-(chloromethyl)-5-(2-furanyl)-1-methyl-
CAS No: 876316-48-2 Catalog No: AG004ONR MDL No:MFCD08690269
Product Description
Catalog Number:
AG004ONR
Chemical Name:
1H-Pyrazole,3-(chloromethyl)-5-(2-furanyl)-1-methyl-
CAS Number:
876316-48-2
Molecular Formula:
C9H9ClN2O
Molecular Weight:
196.6336
MDL Number:
MFCD08690269
IUPAC Name:
3-(chloromethyl)-5-(furan-2-yl)-1-methylpyrazole
InChI:
InChI=1S/C9H9ClN2O/c1-12-8(5-7(6-10)11-12)9-3-2-4-13-9/h2-5H,6H2,1H3
InChI Key:
DZUIHVJDKDNADW-UHFFFAOYSA-N
SMILES:
ClCc1nn(c(c1)c1ccco1)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.634g/mol
Monoisotopic Mass:
196.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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