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Home > Fluorides > 1261573-77-6
1261573-77-6 | Benzene, 4-methyl-2-nitro-1-(trifluoromethoxy)-
CAS No: 1261573-77-6 Catalog No: AG000RUS MDL No:
Product Description
Catalog Number:
AG000RUS
Chemical Name:
Benzene, 4-methyl-2-nitro-1-(trifluoromethoxy)-
CAS Number:
1261573-77-6
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
IUPAC Name:
4-methyl-2-nitro-1-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H6F3NO3/c1-5-2-3-7(15-8(9,10)11)6(4-5)12(13)14/h2-4H,1H3
InChI Key:
FJCLAJIRLJQSGN-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])OC(F)(F)F
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.135g/mol
Monoisotopic Mass:
221.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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