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10241-98-2,MFCD08059776
Catalog No.:AA0007BB
10241-98-2 | 1H-Indole-2-carboxylic acid, 5-chloro-2,3-dihydro-
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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$223.00   $156.00
- +
5g
95%
in stock  
$731.00   $512.00
- +
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Technical Information
Catalog Number:
AA0007BB
Chemical Name:
1H-Indole-2-carboxylic acid, 5-chloro-2,3-dihydro-
CAS Number:
10241-98-2
Molecular Formula:
C9H8ClNO2
Molecular Weight:
197.6183
MDL Number:
MFCD08059776
IUPAC Name:
5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H8ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-3,8,11H,4H2,(H,12,13)
InChI Key:
FXZZXHFPSBXQKT-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(N1)ccc(c2)Cl
Properties
Computed Properties
 
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.618g/mol
Monoisotopic Mass:
197.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
5-chloroindoline-2-carboxylic acid 
10241-98-2 
FCH858081 
MFCD08059776 
AKOS006285460 
5-Chloroindoline-2-carboxylic acid, AldrichCPR 
Y-3366 
1H-Indole-2-carboxylic acid, 5-chloro-2,3-dihydro- 
(2S)-5-CHLOROINDOLINE-2-CARBOXYLIC ACID 
5-Chloro-2,3-dihydro-1H-indole-2-carboxylic acid 
1344408-15-6 
SCHEMBL3256484 
CTK4A1032 
DTXSID90594201 
CHEMBRDG-BB 4004896 
ZX-CM011441 
Literature
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