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Home > Fluorides > 287942-14-7
287942-14-7 | Benzene, 1,4-dimethyl-2-nitro-5-[3-(trifluoromethyl)phenoxy]-
CAS No: 287942-14-7 Catalog No: AG002WHR MDL No:
Product Description
Catalog Number:
AG002WHR
Chemical Name:
Benzene, 1,4-dimethyl-2-nitro-5-[3-(trifluoromethyl)phenoxy]-
CAS Number:
287942-14-7
Molecular Formula:
C15H12F3NO3
Molecular Weight:
311.2559
IUPAC Name:
1,4-dimethyl-2-nitro-5-[3-(trifluoromethyl)phenoxy]benzene
InChI:
InChI=1S/C15H12F3NO3/c1-9-7-14(10(2)6-13(9)19(20)21)22-12-5-3-4-11(8-12)15(16,17)18/h3-8H,1-2H3
InChI Key:
SYFIUBYGUWJYGN-UHFFFAOYSA-N
SMILES:
Cc1cc([N+](=O)[O-])c(cc1Oc1cccc(c1)C(F)(F)F)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.26g/mol
Monoisotopic Mass:
311.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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