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14207-16-0 | Benzo[b]thiophene, 5-bromo-2,3-dimethyl-
CAS No: 14207-16-0 Catalog No: AG001HPM MDL No:MFCD03233100
Product Description
Catalog Number:
AG001HPM
Chemical Name:
Benzo[b]thiophene, 5-bromo-2,3-dimethyl-
CAS Number:
14207-16-0
Molecular Formula:
C10H9BrS
Molecular Weight:
241.1475
MDL Number:
MFCD03233100
IUPAC Name:
5-bromo-2,3-dimethyl-1-benzothiophene
InChI:
InChI=1S/C10H9BrS/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5H,1-2H3
InChI Key:
JURDOBDEMXJNMU-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(C)c(s2)C
Properties
Complexity:
171
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:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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