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Home > Fluorides > 1855899-98-7
1855899-98-7 | 1-(difluoromethyl)-4-ethynyl-3-methyl-1H-pyrazole
CAS No: 1855899-98-7 Catalog No: AG01FHKO MDL No:
Product Description
Catalog Number:
AG01FHKO
Chemical Name:
1-(difluoromethyl)-4-ethynyl-3-methyl-1H-pyrazole
CAS Number:
1855899-98-7
Molecular Formula:
C7H6F2N2
Molecular Weight:
156.1327
IUPAC Name:
1-(difluoromethyl)-4-ethynyl-3-methylpyrazole
InChI:
InChI=1S/C7H6F2N2/c1-3-6-4-11(7(8)9)10-5(6)2/h1,4,7H,2H3
InChI Key:
XBTLYVJCUZNRGO-UHFFFAOYSA-N
SMILES:
C#Cc1cn(nc1C)C(F)F
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.05g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.136g/mol
Monoisotopic Mass:
156.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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