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729613-13-2 | Benzene, 1-[(1Z)-2-bromo-2-fluoroethenyl]-2-nitro-
CAS No: 729613-13-2 Catalog No: AG005D16 MDL No:
Product Description
Catalog Number:
AG005D16
Chemical Name:
Benzene, 1-[(1Z)-2-bromo-2-fluoroethenyl]-2-nitro-
CAS Number:
729613-13-2
Molecular Formula:
C8H5BrFNO2
Molecular Weight:
246.0332
IUPAC Name:
1-(2-bromo-2-fluoroethenyl)-2-nitrobenzene
InChI:
InChI=1S/C8H5BrFNO2/c9-8(10)5-6-3-1-2-4-7(6)11(12)13/h1-5H
InChI Key:
AOXLXCVZBKPQGU-UHFFFAOYSA-N
SMILES:
F/C(=C/c1ccccc1[N+](=O)[O-])/Br
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.949g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.035g/mol
Monoisotopic Mass:
244.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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