Home Indole and Oxindoles 886363-16-2
886363-16-2,MFCD03839964
Catalog No.:AA003HWN
886363-16-2 | 3-(1H-Indol-5-yl)benzoic acid
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100mg
96%
in stock  
$108.00   $75.00
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250mg
96%
in stock  
$215.00   $150.00
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1g
96%
in stock  
$477.00   $334.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003HWN
Chemical Name:
3-(1H-Indol-5-yl)benzoic acid
CAS Number:
886363-16-2
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
MDL Number:
MFCD03839964
IUPAC Name:
3-(1H-indol-5-yl)benzoic acid
InChI:
InChI=1S/C15H11NO2/c17-15(18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-9,16H,(H,17,18)
InChI Key:
VKHHKQSCGXEKEE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc2c(c1)cc[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:
3.5  

Synonyms
 
3-(1H-indol-5-yl)benzoic Acid 
886363-16-2 
3-(1h-indol-7-yl)benzoic acid 
DTXSID20399741 
ZINC2513025 
ANW-39089 
CI-442 
MFCD03839964 
benzoic acid, 3-(1h-indol-5-yl)- 
AKOS004113927 
ref dupl: 3-(5'-indole)benzoic acid 
AJ-36764 
3-(5'-Indole)benzoic acid 
AX8080353 
TC-061088 
BB 0222777 
FT-0654310 
V8659 
H57100 
X-1869 
3-(1,3a-dihydrocyclopenta[b]pyrrol-4-yl)benzoic acid 
Q2S 
C15H11NO2 
3-(1H-Indol-5-yl)-benzoic acid 
3-(1H-indol-6-yl)benzoic acid 
CID4135877 
3-(1H-INDOL-3-YL)BENZOIC ACID 
A10609 
3-(1~{H}-indol-5-yl)benzoic acid 
Q-102095 
AC1N4WYA 
ACMC-209qv7 
3-(5'-Indole)benzoicacid 
CTK7I8608 
Literature
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