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56297-20-2 | 2-(4-Bromo-phenyl)-5-(2-nitro-vinyl)-furan
CAS No: 56297-20-2 Catalog No: AG01EWGP MDL No:
Product Description
Catalog Number:
AG01EWGP
Chemical Name:
2-(4-Bromo-phenyl)-5-(2-nitro-vinyl)-furan
CAS Number:
56297-20-2
Molecular Formula:
C12H8BrNO3
Molecular Weight:
294.1008
IUPAC Name:
2-(4-bromophenyl)-5-(2-nitroethenyl)furan
InChI:
InChI=1S/C12H8BrNO3/c13-10-3-1-9(2-4-10)12-6-5-11(17-12)7-8-14(15)16/h1-8H
InChI Key:
XNSSMTISCNZTBR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C=C/c1ccc(o1)c1ccc(cc1)Br
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.969g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.104g/mol
Monoisotopic Mass:
292.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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