Home Halogens 1H-Indole-4-carboxylic acid, 6-chloro-, Methyl ester

1H-Indole-4-carboxylic acid, 6-chloro-, Methyl ester

CAS No.:
1082040-57-0
Catalog Number:
AG00940K
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
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Product Description
Catalog Number:
AG00940K
Chemical Name:
1H-Indole-4-carboxylic acid, 6-chloro-, Methyl ester
CAS Number:
1082040-57-0
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD11845461
IUPAC Name:
methyl 6-chloro-1H-indole-4-carboxylate
InChI:
InChI=1S/C10H8ClNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3
InChI Key:
DJXHUOUZHKUEKC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)cc2c1cc[nH]2
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:
2.5  
Properties