Home Amines 1022151-32-1
1022151-32-1,MFCD23705697
Catalog No.:AA0006VS
1022151-32-1 | 2-Benzothiazolamine, 6-bromo-5-fluoro-
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Technical Information
Catalog Number:
AA0006VS
Chemical Name:
2-Benzothiazolamine, 6-bromo-5-fluoro-
CAS Number:
1022151-32-1
Molecular Formula:
C7H4BrFN2S
Molecular Weight:
247.0875
MDL Number:
MFCD23705697
IUPAC Name:
6-bromo-5-fluoro-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C7H4BrFN2S/c8-3-1-6-5(2-4(3)9)11-7(10)12-6/h1-2H,(H2,10,11)
InChI Key:
RTANGTWGWAJMPC-UHFFFAOYSA-N
SMILES:
Nc1sc2c(n1)cc(c(c2)Br)F
Properties
Computed Properties
 
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.926g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.085g/mol
Monoisotopic Mass:
245.926g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
1022151-32-1 
2-Benzothiazolamine, 6-bromo-5-fluoro- 
6-bromo-5-fluoro-benzothiazol-2-ylamine 
Z1839480850 
6-Bromo-5-fluorobenzo[d]thiazol-2-amine 
6-bromo-5-fluoro-1,3-benzothiazol-2-amine 
SCHEMBL4071678 
RTANGTWGWAJMPC-UHFFFAOYSA-N 
ZINC95829184 
AKOS026727472 
MCULE-7862297702 
NE46646 
Literature
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