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Home > Fluorides > 1021389-54-7
1021389-54-7 | Benzene, 2-ethenyl-1-fluoro-4-nitro-
CAS No: 1021389-54-7 Catalog No: AG0006PJ MDL No:MFCD27996862
Product Description
Catalog Number:
AG0006PJ
Chemical Name:
Benzene, 2-ethenyl-1-fluoro-4-nitro-
CAS Number:
1021389-54-7
Molecular Formula:
C8H6FNO2
Molecular Weight:
167.1371
MDL Number:
MFCD27996862
IUPAC Name:
2-ethenyl-1-fluoro-4-nitrobenzene
InChI:
InChI=1S/C8H6FNO2/c1-2-6-5-7(10(11)12)3-4-8(6)9/h2-5H,1H2
InChI Key:
SISIKMWLDURIDU-UHFFFAOYSA-N
SMILES:
C=Cc1cc(ccc1F)[N+](=O)[O-]
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.139g/mol
Monoisotopic Mass:
167.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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