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189935-72-6 | Furan, 2-bromo-5-[(1Z)-2-bromo-2-nitroethenyl]-
CAS No: 189935-72-6 Catalog No: AG002E5B MDL No:
Product Description
Catalog Number:
AG002E5B
Chemical Name:
Furan, 2-bromo-5-[(1Z)-2-bromo-2-nitroethenyl]-
CAS Number:
189935-72-6
Molecular Formula:
C6H3Br2NO3
Molecular Weight:
296.9009
IUPAC Name:
2-bromo-5-(2-bromo-2-nitroethenyl)furan
InChI:
InChI=1S/C6H3Br2NO3/c7-5(9(10)11)3-4-1-2-6(8)12-4/h1-3H
InChI Key:
MJPPGVVIDGQOQT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C(=C/c1ccc(o1)Br)/Br
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.846g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.902g/mol
Monoisotopic Mass:
294.848g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Comparative genotoxic evaluation of 2-furylethylenes and 5-nitrofurans by using the comet assay in TK6 cells. | Mutagenesis 20050501 |
| Genotoxicity testing of the furylethylene derivative 1-(5-bromofur-2-yl)-2-bromo-2-nitroethene in cultured human lymphocytes. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20040201 |
| In vitro evaluation of G1: a novel antimicrobial compound. | International journal of antimicrobial agents 19990201 |
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