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89266-57-9 | Benzofuran, 5,7-dibromo-2-(5-nitro-2-thienyl)-
CAS No: 89266-57-9 Catalog No: AG0041TQ MDL No:
Product Description
Catalog Number:
AG0041TQ
Chemical Name:
Benzofuran, 5,7-dibromo-2-(5-nitro-2-thienyl)-
CAS Number:
89266-57-9
Molecular Formula:
C12H5Br2NO3S
Molecular Weight:
403.0460
IUPAC Name:
5,7-dibromo-2-(5-nitrothiophen-2-yl)-1-benzofuran
InChI:
InChI=1S/C12H5Br2NO3S/c13-7-3-6-4-9(18-12(6)8(14)5-7)10-1-2-11(19-10)15(16)17/h1-5H
InChI Key:
AWVOTXBMOMGDJI-UHFFFAOYSA-N
SMILES:
Brc1cc2cc(oc2c(c1)Br)c1ccc(s1)[N+](=O)[O-]
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.834g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.044g/mol
Monoisotopic Mass:
400.836g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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