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10243-15-9,MFCD01830303
Catalog No.:AA0007DI
10243-15-9 | 3-Bromo-2-methyl-benzo[b]thiophene
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1g
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$252.00   $176.00
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Technical Information
Catalog Number:
AA0007DI
Chemical Name:
3-Bromo-2-methyl-benzo[b]thiophene
CAS Number:
10243-15-9
Molecular Formula:
C9H7BrS
Molecular Weight:
227.1209
MDL Number:
MFCD01830303
IUPAC Name:
3-bromo-2-methyl-1-benzothiophene
InChI:
InChI=1S/C9H7BrS/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-5H,1H3
InChI Key:
WFTBGTKQMKDPOQ-UHFFFAOYSA-N
SMILES:
Brc1c(C)sc2c1cccc2
Properties
Computed 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  

Synonyms
 
3-bromo-2-methylbenzo[b]thiophene 
10243-15-9 
CTK4A1041 
DTXSID60356333 
WFTBGTKQMKDPOQ-UHFFFAOYSA-N 
ZINC338991 
KS-00000NI6 
ANW-56448 
MFCD01830303 
SBB097095 
Benzo[b]thiophene,3-bromo-2-methyl- 
AKOS015969322 
3-Bromo-2-methyl-benzo[b]thiophene 
Benzo[b]thiophene, 3-bromo-2-methyl- 
CS-W021857 
FCH1333558 
RP27698 
AJ-19910 
CJ-02987 
DS-11260 
FS002037 
ZB010912 
AB0002494 
3-Bromo-2-methyl-1-benzothiophene 
AX8084967 
DB-058817 
ST2417516 
TC-145193 
4CH-000605 
FT-0731972 
Z3813 
M-9803 
J-511883 
C9H7BrS 
2-methyl-3-bromobenzo[b]thiophene 
3-bromo-2-methyl-benzothiophene 
AR-1F2209 
CID821864 
102434-14-0 
AK-28158 
AC1LGIB1 
SCHEMBL718497 
3-bromo-2-methylbenzothiophene 
AC1Q25K4 
Literature
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