Home Halogens 4-(5-bromo-1,3-benzothiazol-2-yl)aniline

4-(5-bromo-1,3-benzothiazol-2-yl)aniline

CAS No.:
1095528-03-2
Catalog Number:
AG019ZYQ
Molecular Formula:
C13H9BrN2S
Molecular Weight:
305.1930
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Product Description
Catalog Number:
AG019ZYQ
Chemical Name:
4-(5-bromo-1,3-benzothiazol-2-yl)aniline
CAS Number:
1095528-03-2
Molecular Formula:
C13H9BrN2S
Molecular Weight:
305.1930
MDL Number:
MFCD11636975
IUPAC Name:
4-(5-bromo-1,3-benzothiazol-2-yl)aniline
InChI:
InChI=1S/C13H9BrN2S/c14-9-3-6-12-11(7-9)16-13(17-12)8-1-4-10(15)5-2-8/h1-7H,15H2
InChI Key:
OZUUVIQWYSHVRU-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1nc2c(s1)ccc(c2)Br
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.967g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
305.193g/mol
Monoisotopic Mass:
303.967g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties