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1198-50-1 | Benzo[b]thiophene, 3-(bromomethyl)-5-methyl-
CAS No: 1198-50-1 Catalog No: AG000PNS MDL No:
Product Description
Catalog Number:
AG000PNS
Chemical Name:
Benzo[b]thiophene, 3-(bromomethyl)-5-methyl-
CAS Number:
1198-50-1
Molecular Formula:
C10H9BrS
Molecular Weight:
241.1475
IUPAC Name:
3-(bromomethyl)-5-methyl-1-benzothiophene
InChI:
InChI=1S/C10H9BrS/c1-7-2-3-10-9(4-7)8(5-11)6-12-10/h2-4,6H,5H2,1H3
InChI Key:
FGPYLHMAYRJFQM-UHFFFAOYSA-N
SMILES:
BrCc1csc2c1cc(C)cc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.961g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.146g/mol
Monoisotopic Mass:
239.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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