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1198-51-2 | Benzo[b]thiophene, 3-(bromomethyl)-5-chloro-
CAS No: 1198-51-2 Catalog No: AG000PNR MDL No:MFCD00173769
Product Description
Catalog Number:
AG000PNR
Chemical Name:
Benzo[b]thiophene, 3-(bromomethyl)-5-chloro-
CAS Number:
1198-51-2
Molecular Formula:
C9H6BrClS
Molecular Weight:
261.5659
MDL Number:
MFCD00173769
IUPAC Name:
3-(bromomethyl)-5-chloro-1-benzothiophene
InChI:
InChI=1S/C9H6BrClS/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5H,4H2
InChI Key:
FKQSFVITUNJLCY-UHFFFAOYSA-N
SMILES:
BrCc1csc2c1cc(Cl)cc2
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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