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175203-60-8

175203-60-8 | Benzo[b]thiophene, 2-bromo-5-chloro-3-methyl-

CAS No: 175203-60-8 Catalog No: AG0020K8 MDL No:MFCD00126363

Product Description

Catalog Number:
AG0020K8
Chemical Name:
Benzo[b]thiophene, 2-bromo-5-chloro-3-methyl-
CAS Number:
175203-60-8
Molecular Formula:
C9H6BrClS
Molecular Weight:
261.5659
MDL Number:
MFCD00126363
IUPAC Name:
2-bromo-5-chloro-3-methyl-1-benzothiophene
InChI:
InChI=1S/C9H6BrClS/c1-5-7-4-6(11)2-3-8(7)12-9(5)10/h2-4H,1H3
InChI Key:
RWFPSUKDYYBMHU-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(C)c(s2)Br

Properties

Complexity:
176  
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:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

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