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101078-75-5,MFCD28977497
Catalog No.:AA0003L9
101078-75-5 | 2-(4-(Bromomethyl)phenyl)-6-methoxybenzo[d]thiazole
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250mg
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$286.00   $200.00
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Technical Information
Catalog Number:
AA0003L9
Chemical Name:
2-(4-(Bromomethyl)phenyl)-6-methoxybenzo[d]thiazole
CAS Number:
101078-75-5
Molecular Formula:
C15H12BrNOS
Molecular Weight:
334.2309
MDL Number:
MFCD28977497
IUPAC Name:
2-[4-(bromomethyl)phenyl]-6-methoxy-1,3-benzothiazole
InChI:
InChI=1S/C15H12BrNOS/c1-18-12-6-7-13-14(8-12)19-15(17-13)11-4-2-10(9-16)3-5-11/h2-8H,9H2,1H3
InChI Key:
KOXGRZITWONDFB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)c1ccc(cc1)CBr
Properties
Computed Properties
 
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.982g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.231g/mol
Monoisotopic Mass:
332.982g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

Synonyms
 
101078-75-5 
2-(4-(bromomethyl)phenyl)-6-methoxybenzo[d]thiazole 
Benzothiazole, 2-[4-(bromomethyl)phenyl]-6-methoxy- 
SCHEMBL1983003 
KS-000001KK 
MFCD28977497 
AKOS028109869 
ZINC117700057 
2-[4-(Bromomethyl)phenyl]-6-methoxy-benzothiazole 
6-methoxy-2-p-tolylbenzo[d]thiazole 
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