Home Halogens 3-(5-chloro-1H-indol-1-yl)propanoic acid

3-(5-chloro-1H-indol-1-yl)propanoic acid

CAS No.:
18108-89-9
Catalog Number:
AG01A325
Molecular Formula:
C11H10ClNO2
Molecular Weight:
223.6556
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Product Description
Catalog Number:
AG01A325
Chemical Name:
3-(5-chloro-1H-indol-1-yl)propanoic acid
CAS Number:
18108-89-9
Molecular Formula:
C11H10ClNO2
Molecular Weight:
223.6556
MDL Number:
MFCD18900020
IUPAC Name:
3-(5-chloroindol-1-yl)propanoic acid
InChI:
InChI=1S/C11H10ClNO2/c12-9-1-2-10-8(7-9)3-5-13(10)6-4-11(14)15/h1-3,5,7H,4,6H2,(H,14,15)
InChI Key:
QUMLYCMUFWVGGA-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1ccc2c1ccc(c2)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:
223.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.656g/mol
Monoisotopic Mass:
223.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties