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116272-78-7 | Benzene, 1-chloro-3-fluoro-2-[(1E)-2-nitroethenyl]-
CAS No: 116272-78-7 Catalog No: AG000C3J MDL No:
Product Description
Catalog Number:
AG000C3J
Chemical Name:
Benzene, 1-chloro-3-fluoro-2-[(1E)-2-nitroethenyl]-
CAS Number:
116272-78-7
Molecular Formula:
C8H5ClFNO2
Molecular Weight:
201.5822
IUPAC Name:
1-chloro-3-fluoro-2-[(E)-2-nitroethenyl]benzene
InChI:
InChI=1S/C8H5ClFNO2/c9-7-2-1-3-8(10)6(7)4-5-11(12)13/h1-5H/b5-4+
InChI Key:
JCIAIKBVPVMTBD-SNAWJCMRSA-N
SMILES:
[O-][N+](=O)/C=C/c1c(F)cccc1Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
200.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.581g/mol
Monoisotopic Mass:
200.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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