Home Halogens Ethanone, 1-benzo[b]thien-3-yl-2-bromo-

Ethanone, 1-benzo[b]thien-3-yl-2-bromo-

CAS No.:
26167-45-3
Catalog Number:
AG002RYA
Molecular Formula:
C10H7BrOS
Molecular Weight:
255.1310
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Product Description
Catalog Number:
AG002RYA
Chemical Name:
Ethanone, 1-benzo[b]thien-3-yl-2-bromo-
CAS Number:
26167-45-3
Molecular Formula:
C10H7BrOS
Molecular Weight:
255.1310
MDL Number:
MFCD00176410
IUPAC Name:
1-(1-benzothiophen-3-yl)-2-bromoethanone
InChI:
InChI=1S/C10H7BrOS/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6H,5H2
InChI Key:
CKHWNGWAHFLCTJ-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1csc2c1cccc2
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.94g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.129g/mol
Monoisotopic Mass:
253.94g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties