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831222-81-2 | Benzo[b]thiophene, 6-(bromomethyl)-4-methoxy-
CAS No: 831222-81-2 Catalog No: AG004W3T MDL No:
Product Description
Catalog Number:
AG004W3T
Chemical Name:
Benzo[b]thiophene, 6-(bromomethyl)-4-methoxy-
CAS Number:
831222-81-2
Molecular Formula:
C10H9BrOS
Molecular Weight:
257.1469
IUPAC Name:
6-(bromomethyl)-4-methoxy-1-benzothiophene
InChI:
InChI=1S/C10H9BrOS/c1-12-9-4-7(6-11)5-10-8(9)2-3-13-10/h2-5H,6H2,1H3
InChI Key:
QVOJGWHGWSEIEK-UHFFFAOYSA-N
SMILES:
COc1cc(CBr)cc2c1ccs2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.956g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.145g/mol
Monoisotopic Mass:
255.956g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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