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101909-42-6,MFCD09841616
Catalog No.:AA0005UB
101909-42-6 | Methyl 4-chloro-1H-indole-3-carboxylate
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1g
95%
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$677.00   $474.00
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Technical Information
Catalog Number:
AA0005UB
Chemical Name:
Methyl 4-chloro-1H-indole-3-carboxylate
CAS Number:
101909-42-6
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD09841616
IUPAC Name:
methyl 4-chloro-1H-indole-3-carboxylate
InChI:
InChI=1S/C10H8ClNO2/c1-14-10(13)6-5-12-8-4-2-3-7(11)9(6)8/h2-5,12H,1H3
InChI Key:
FCOPGKVFHCXUKH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1c(Cl)ccc2
Properties
Computed Properties
 
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.629g/mol
Monoisotopic Mass:
209.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
101909-42-6 
Methyl 4-chloro-1H-indole-3-carboxylate 
ZINC89203390 
AKOS015898572 
CM-1934 
NE63838 
SC-61143 
SY058831 
AJ-128422 
CS-0061860 
FT-0733660 
MFCD09841616 (95%) 
4-CHLORO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER 
I10-0805 
1H-Indole-3-carboxylic acid, 4-chloro-, methyl ester 
C10H8CLNO2 
1h-indole-3-carboxylic acid,4-chloro-,methyl ester 
Methyl 4-Chloroindole-3-carboxylate 
Methyl 4-chloroindole-3-carboxyate 
SCHEMBL9937058 
DTXSID20542295 
9860AH 
MFCD09841616 
Literature
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