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87002-19-5 | Benzene,1,2,3,4,5-pentafluoro-6-[(3-methyl-4-nitrophenoxy)methyl]-
CAS No: 87002-19-5 Catalog No: AG004KAU MDL No:
Product Description
Catalog Number:
AG004KAU
Chemical Name:
Benzene,1,2,3,4,5-pentafluoro-6-[(3-methyl-4-nitrophenoxy)methyl]-
CAS Number:
87002-19-5
Molecular Formula:
C14H8F5NO3
Molecular Weight:
333.2102
IUPAC Name:
1,2,3,4,5-pentafluoro-6-[(3-methyl-4-nitrophenoxy)methyl]benzene
InChI:
InChI=1S/C14H8F5NO3/c1-6-4-7(2-3-9(6)20(21)22)23-5-8-10(15)12(17)14(19)13(18)11(8)16/h2-4H,5H2,1H3
InChI Key:
WDUOVUNTQFSXIO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1C)OCc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.042g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.214g/mol
Monoisotopic Mass:
333.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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