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

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

CAS No.:
885527-36-6
Catalog Number:
AG01AGHR
Molecular Formula:
C10H8ClNO2S
Molecular Weight:
241.6940
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Product Description
Catalog Number:
AG01AGHR
Chemical Name:
3-(5-chloro-1,3-benzothiazol-2-yl)propanoic acid
CAS Number:
885527-36-6
Molecular Formula:
C10H8ClNO2S
Molecular Weight:
241.6940
MDL Number:
MFCD08271869
IUPAC Name:
3-(5-chloro-1,3-benzothiazol-2-yl)propanoic acid
InChI:
InChI=1S/C10H8ClNO2S/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:
UMBLVHSXXWQLDL-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nc2c(s1)ccc(c2)Cl
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.996g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.689g/mol
Monoisotopic Mass:
240.996g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties