Home Other Building Blocks 2-(5-CHLOROQUINOLIN-8-YL)ACETIC ACID

2-(5-CHLOROQUINOLIN-8-YL)ACETIC ACID

CAS No.:
1564787-54-7
Catalog Number:
AG01DVOP
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
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Product Description
Catalog Number:
AG01DVOP
Chemical Name:
2-(5-CHLOROQUINOLIN-8-YL)ACETIC ACID
CAS Number:
1564787-54-7
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
MDL Number:
MFCD26058620
IUPAC Name:
2-(5-chloroquinolin-8-yl)acetic acid
InChI:
InChI=1S/C11H8ClNO2/c12-9-4-3-7(6-10(14)15)11-8(9)2-1-5-13-11/h1-5H,6H2,(H,14,15)
InChI Key:
POIRXGXUELQJCU-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c2c1nccc2)Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties