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Home > Fluorides > 1365988-07-3
1365988-07-3 | 2-Fluoro-3-nitro-5-methylbenzotrifluoride
CAS No: 1365988-07-3 Catalog No: AG01FBL9 MDL No:MFCD21602137
Product Description
Catalog Number:
AG01FBL9
Chemical Name:
2-Fluoro-3-nitro-5-methylbenzotrifluoride
CAS Number:
1365988-07-3
Molecular Formula:
C8H5F4NO2
Molecular Weight:
223.1244
MDL Number:
MFCD21602137
IUPAC Name:
2-fluoro-5-methyl-1-nitro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5F4NO2/c1-4-2-5(8(10,11)12)7(9)6(3-4)13(14)15/h2-3H,1H3
InChI Key:
JHEPYEXKEPQPAZ-UHFFFAOYSA-N
SMILES:
Cc1cc([N+](=O)[O-])c(c(c1)C(F)(F)F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.127g/mol
Monoisotopic Mass:
223.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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