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10133-22-9 | Benzo[b]thiophene, 5-(bromomethyl)-
CAS No: 10133-22-9 Catalog No: AG00048W MDL No:
Product Description
Catalog Number:
AG00048W
Chemical Name:
Benzo[b]thiophene, 5-(bromomethyl)-
CAS Number:
10133-22-9
Molecular Formula:
C9H7BrS
Molecular Weight:
227.1209
IUPAC Name:
5-(bromomethyl)-1-benzothiophene
InChI:
InChI=1S/C9H7BrS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6H2
InChI Key:
FOQVMHRXEHFCNW-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)ccs2
Properties
Complexity:
138
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:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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