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1983-22-8 | Benzene, 1-nitro-4-(3,3,3-trifluoro-1-propyn-1-yl)-
CAS No: 1983-22-8 Catalog No: AG002BFC MDL No:MFCD16616315
Product Description
Catalog Number:
AG002BFC
Chemical Name:
Benzene, 1-nitro-4-(3,3,3-trifluoro-1-propyn-1-yl)-
CAS Number:
1983-22-8
Molecular Formula:
C9H4F3NO2
Molecular Weight:
215.1288
MDL Number:
MFCD16616315
IUPAC Name:
1-nitro-4-(3,3,3-trifluoroprop-1-ynyl)benzene
InChI:
InChI=1S/C9H4F3NO2/c10-9(11,12)6-5-7-1-3-8(4-2-7)13(14)15/h1-4H
InChI Key:
IWZPXBRMUFWHHZ-UHFFFAOYSA-N
SMILES:
FC(C#Cc1ccc(cc1)[N+](=O)[O-])(F)F
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.131g/mol
Monoisotopic Mass:
215.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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