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657405-46-4 | 2-Bromo-1-[5-(2-chloro-4-nitro-phenyl)-furan-2-yl]-ethanone
CAS No: 657405-46-4 Catalog No: AG01EWT8 MDL No:
Product Description
Catalog Number:
AG01EWT8
Chemical Name:
2-Bromo-1-[5-(2-chloro-4-nitro-phenyl)-furan-2-yl]-ethanone
CAS Number:
657405-46-4
Molecular Formula:
C12H7BrClNO4
Molecular Weight:
344.5453
IUPAC Name:
2-bromo-1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethanone
InChI:
InChI=1S/C12H7BrClNO4/c13-6-10(16)12-4-3-11(19-12)8-2-1-7(15(17)18)5-9(8)14/h1-5H,6H2
InChI Key:
KGWGGRKNIAJSBA-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(o1)c1ccc(cc1Cl)[N+](=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.925g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.545g/mol
Monoisotopic Mass:
342.925g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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