Home Halogens 2-[(7-chloroquinolin-4-yl)sulfanyl]propanoic acid

2-[(7-chloroquinolin-4-yl)sulfanyl]propanoic acid

CAS No.:
874487-44-2
Catalog Number:
AG019YF1
Molecular Formula:
C12H10ClNO2S
Molecular Weight:
267.7313
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Product Description
Catalog Number:
AG019YF1
Chemical Name:
2-[(7-chloroquinolin-4-yl)sulfanyl]propanoic acid
CAS Number:
874487-44-2
Molecular Formula:
C12H10ClNO2S
Molecular Weight:
267.7313
MDL Number:
MFCD09941252
IUPAC Name:
2-(7-chloroquinolin-4-yl)sulfanylpropanoic acid
InChI:
InChI=1S/C12H10ClNO2S/c1-7(12(15)16)17-11-4-5-14-10-6-8(13)2-3-9(10)11/h2-7H,1H3,(H,15,16)
InChI Key:
PAHDKKWQQCMHID-UHFFFAOYSA-N
SMILES:
OC(=O)C(Sc1ccnc2c1ccc(c2)Cl)C
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.012g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.727g/mol
Monoisotopic Mass:
267.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties