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Home > Fluorides > 347361-52-8
347361-52-8 | 3-trifluoromethyl-1-phenyl-4,5,6,7-tetrahydro-1h-indazole
CAS No: 347361-52-8 Catalog No: AG01EVMP MDL No:
Product Description
Catalog Number:
AG01EVMP
Chemical Name:
3-trifluoromethyl-1-phenyl-4,5,6,7-tetrahydro-1h-indazole
CAS Number:
347361-52-8
Molecular Formula:
C14H13F3N2
Molecular Weight:
266.2616
IUPAC Name:
1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
InChI:
InChI=1S/C14H13F3N2/c15-14(16,17)13-11-8-4-5-9-12(11)19(18-13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChI Key:
XYAUEMFYWKGQTL-UHFFFAOYSA-N
SMILES:
FC(c1nn(c2c1CCCC2)c1ccccc1)(F)F
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.267g/mol
Monoisotopic Mass:
266.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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