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Home > Fluorides > 1228898-12-1
1228898-12-1 | Benzene, 2-iodo-4-nitro-1-(trifluoromethyl)-
CAS No: 1228898-12-1 Catalog No: AG000JOV MDL No:
Product Description
Catalog Number:
AG000JOV
Chemical Name:
Benzene, 2-iodo-4-nitro-1-(trifluoromethyl)-
CAS Number:
1228898-12-1
Molecular Formula:
C7H3F3INO2
Molecular Weight:
317.0039
IUPAC Name:
2-iodo-4-nitro-1-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3F3INO2/c8-7(9,10)5-2-1-4(12(13)14)3-6(5)11/h1-3H
InChI Key:
GXQIWTSUPAYASC-UHFFFAOYSA-N
SMILES:
Ic1cc(ccc1C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.916g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.006g/mol
Monoisotopic Mass:
316.916g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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