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850375-12-1 | Ethanone,2-bromo-1-(5-bromobenzo[b]thien-3-yl)-
CAS No: 850375-12-1 Catalog No: AG004SVA MDL No:MFCD06797474
Product Description
Catalog Number:
AG004SVA
Chemical Name:
Ethanone,2-bromo-1-(5-bromobenzo[b]thien-3-yl)-
CAS Number:
850375-12-1
Molecular Formula:
C10H6Br2OS
Molecular Weight:
334.0270
MDL Number:
MFCD06797474
IUPAC Name:
2-bromo-1-(5-bromo-1-benzothiophen-3-yl)ethanone
InChI:
InChI=1S/C10H6Br2OS/c11-4-9(13)8-5-14-10-2-1-6(12)3-7(8)10/h1-3,5H,4H2
InChI Key:
QFZPWQQHQRYUKB-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1csc2c1cc(Br)cc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.849g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.025g/mol
Monoisotopic Mass:
331.851g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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