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Home > Fluorides > 136476-19-2
136476-19-2 | Benzene, 1-nitro-3-[1-(trifluoromethyl)ethenyl]-
CAS No: 136476-19-2 Catalog No: AG0011W8 MDL No:
Product Description
Catalog Number:
AG0011W8
Chemical Name:
Benzene, 1-nitro-3-[1-(trifluoromethyl)ethenyl]-
CAS Number:
136476-19-2
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
IUPAC Name:
1-nitro-3-(3,3,3-trifluoroprop-1-en-2-yl)benzene
InChI:
InChI=1S/C9H6F3NO2/c1-6(9(10,11)12)7-3-2-4-8(5-7)13(14)15/h2-5H,1H2
InChI Key:
BOXWWFCXCCQRFT-UHFFFAOYSA-N
SMILES:
C=C(C(F)(F)F)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.147g/mol
Monoisotopic Mass:
217.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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