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1978-20-7 | Benzene, 4-nitro-1,2-bis(trifluoromethyl)-
CAS No: 1978-20-7 Catalog No: AG002B1L MDL No:MFCD00728841
Product Description
Catalog Number:
AG002B1L
Chemical Name:
Benzene, 4-nitro-1,2-bis(trifluoromethyl)-
CAS Number:
1978-20-7
Molecular Formula:
C8H3F6NO2
Molecular Weight:
259.1053
MDL Number:
MFCD00728841
IUPAC Name:
4-nitro-1,2-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3F6NO2/c9-7(10,11)5-2-1-4(15(16)17)3-6(5)8(12,13)14/h1-3H
InChI Key:
QGNGVSKFAUEJDF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.107g/mol
Monoisotopic Mass:
259.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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