Home Indole and Oxindoles 442562-80-3
442562-80-3,MFCD13177530
Catalog No.:AA003HWM
442562-80-3 | 3-(1H-Indol-4-yl)benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
in stock  
$555.00   $389.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HWM
Chemical Name:
3-(1H-Indol-4-yl)benzoic acid
CAS Number:
442562-80-3
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
MDL Number:
MFCD13177530
IUPAC Name:
3-(1H-indol-4-yl)benzoic acid
InChI:
InChI=1S/C15H11NO2/c17-15(18)11-4-1-3-10(9-11)12-5-2-6-14-13(12)7-8-16-14/h1-9,16H,(H,17,18)
InChI Key:
JIDDTZCMXFNWAB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1cccc2c1cc[nH]2
Properties
Computed Properties
 
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
3-(1H-Indol-4-yl)benzoic acid 
442562-80-3 
ZINC54965438 
AKOS015854413 
AJ-112548 
TR-017052 
I14-4942 
3- benzoicacid 
3-(1H-Indol-4-yl)benzoicacid 
SCHEMBL6319628 
CTK4I8050 
DTXSID40626480 
JIDDTZCMXFNWAB-UHFFFAOYSA-N 
3-(1H-indol-4-yl)-benzoic acid 
ANW-30076 
Benzoic acid,3-(1H-indol-4-yl)- 
MFCD13177530 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A
Related Products