Home Halogens 3-[7-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid

3-[7-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid

CAS No.:
2138128-08-0
Catalog Number:
AG01BUJ3
Molecular Formula:
C17H13ClFNO2
Molecular Weight:
317.7420
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Product Description
Catalog Number:
AG01BUJ3
Chemical Name:
3-[7-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid
CAS Number:
2138128-08-0
Molecular Formula:
C17H13ClFNO2
Molecular Weight:
317.7420
MDL Number:
MFCD30732428
IUPAC Name:
3-[7-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid
InChI:
InChI=1S/C17H13ClFNO2/c18-14-3-1-2-12-13(8-9-15(21)22)16(20-17(12)14)10-4-6-11(19)7-5-10/h1-7,20H,8-9H2,(H,21,22)
InChI Key:
NIBPXVQRLRTNMT-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c([nH]c2c1cccc2Cl)c1ccc(cc1)F
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.062g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
317.744g/mol
Monoisotopic Mass:
317.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties