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Home > Fluorides > 122980-86-3
122980-86-3 | 1H-Pyrazole, 3-(difluoromethyl)-5-phenyl-
CAS No: 122980-86-3 Catalog No: AG000JV2 MDL No:MFCD04039285
Product Description
Catalog Number:
AG000JV2
Chemical Name:
1H-Pyrazole, 3-(difluoromethyl)-5-phenyl-
CAS Number:
122980-86-3
Molecular Formula:
C10H8F2N2
Molecular Weight:
194.1807
MDL Number:
MFCD04039285
IUPAC Name:
5-(difluoromethyl)-3-phenyl-1H-pyrazole
InChI:
InChI=1S/C10H8F2N2/c11-10(12)9-6-8(13-14-9)7-4-2-1-3-5-7/h1-6,10H,(H,13,14)
InChI Key:
XLSJJOUDHYYMBG-UHFFFAOYSA-N
SMILES:
FC(c1cc([nH]n1)c1ccccc1)F
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.185g/mol
Monoisotopic Mass:
194.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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