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147089-80-3 | Benzene, 1-[(1Z)-2-bromo-2-nitroethenyl]-2-chloro-
CAS No: 147089-80-3 Catalog No: AG001EL9 MDL No:
Product Description
Catalog Number:
AG001EL9
Chemical Name:
Benzene, 1-[(1Z)-2-bromo-2-nitroethenyl]-2-chloro-
CAS Number:
147089-80-3
Molecular Formula:
C8H5BrClNO2
Molecular Weight:
262.4878
IUPAC Name:
1-(2-bromo-2-nitroethenyl)-2-chlorobenzene
InChI:
InChI=1S/C8H5BrClNO2/c9-8(11(12)13)5-6-3-1-2-4-7(6)10/h1-5H
InChI Key:
JFPRMTHEEJNYTR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C(=C/c1ccccc1Cl)/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:
260.919g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.487g/mol
Monoisotopic Mass:
260.919g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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