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1196-09-4 | Benzo[b]thiophene, 5-bromo-3-methyl-
CAS No: 1196-09-4 Catalog No: AG000P8V MDL No:MFCD05664866
Product Description
Catalog Number:
AG000P8V
Chemical Name:
Benzo[b]thiophene, 5-bromo-3-methyl-
CAS Number:
1196-09-4
Molecular Formula:
C9H7BrS
Molecular Weight:
227.1209
MDL Number:
MFCD05664866
IUPAC Name:
5-bromo-3-methyl-1-benzothiophene
InChI:
InChI=1S/C9H7BrS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
InChI Key:
YSYLNZAFOPVZLP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(C)cs2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.945g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.119g/mol
Monoisotopic Mass:
225.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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