Home Halogens 3-(5-bromo-1,3-benzothiazol-2-yl)propanoic acid

3-(5-bromo-1,3-benzothiazol-2-yl)propanoic acid

CAS No.:
933738-07-9
Catalog Number:
AG019SRC
Molecular Formula:
C10H8BrNO2S
Molecular Weight:
286.1450
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Product Description
Catalog Number:
AG019SRC
Chemical Name:
3-(5-bromo-1,3-benzothiazol-2-yl)propanoic acid
CAS Number:
933738-07-9
Molecular Formula:
C10H8BrNO2S
Molecular Weight:
286.1450
MDL Number:
MFCD11636379
IUPAC Name:
3-(5-bromo-1,3-benzothiazol-2-yl)propanoic acid
InChI:
InChI=1S/C10H8BrNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)
InChI Key:
CLEOVZOLABRGLL-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nc2c(s1)ccc(c2)Br
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.946g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.143g/mol
Monoisotopic Mass:
284.946g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties