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1238214-63-5 | 1H-Indole-7-carboxylic acid, 5-chloro-, methyl ester
CAS No: 1238214-63-5 Catalog No: AG000L52 MDL No:
Product Description
Catalog Number:
AG000L52
Chemical Name:
1H-Indole-7-carboxylic acid, 5-chloro-, methyl ester
CAS Number:
1238214-63-5
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
IUPAC Name:
methyl 5-chloro-1H-indole-7-carboxylate
InChI:
InChI=1S/C10H8ClNO2/c1-14-10(13)8-5-7(11)4-6-2-3-12-9(6)8/h2-5,12H,1H3
InChI Key:
NRHVYJRAVVKLBZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)cc2c1[nH]cc2
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
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