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50638-17-0 | 5-Bromo-2-chloromethyl-benzo[b]thiophene
CAS No: 50638-17-0 Catalog No: AG01EW9C MDL No:
Product Description
Catalog Number:
AG01EW9C
Chemical Name:
5-Bromo-2-chloromethyl-benzo[b]thiophene
CAS Number:
50638-17-0
Molecular Formula:
C9H6BrClS
Molecular Weight:
261.5659
IUPAC Name:
5-bromo-2-(chloromethyl)-1-benzothiophene
InChI:
InChI=1S/C9H6BrClS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5H2
InChI Key:
SUAZHKPEAOIZCR-UHFFFAOYSA-N
SMILES:
ClCc1cc2c(s1)ccc(c2)Br
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.906g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.561g/mol
Monoisotopic Mass:
259.906g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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