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Home > Fluorides > 178685-14-8
178685-14-8 | Benzene, 1-(2-iodoethyl)-4-(trifluoromethyl)-
CAS No: 178685-14-8 Catalog No: AG002688 MDL No:MFCD18207440
Product Description
Catalog Number:
AG002688
Chemical Name:
Benzene, 1-(2-iodoethyl)-4-(trifluoromethyl)-
CAS Number:
178685-14-8
Molecular Formula:
C9H8F3I
Molecular Weight:
300.0595
MDL Number:
MFCD18207440
IUPAC Name:
1-(2-iodoethyl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8F3I/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4H,5-6H2
InChI Key:
SRZXEFNIPPUVHS-UHFFFAOYSA-N
SMILES:
ICCc1ccc(cc1)C(F)(F)F
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.962g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.063g/mol
Monoisotopic Mass:
299.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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