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1227270-89-4 | 1H-Indole-2-carboxylic acid, 7-chloro-3,6-dimethyl-, ethyl ester
CAS No: 1227270-89-4 Catalog No: AG000J6S MDL No:
Product Description
Catalog Number:
AG000J6S
Chemical Name:
1H-Indole-2-carboxylic acid, 7-chloro-3,6-dimethyl-, ethyl ester
CAS Number:
1227270-89-4
Molecular Formula:
C13H14ClNO2
Molecular Weight:
251.7088
IUPAC Name:
ethyl 7-chloro-3,6-dimethyl-1H-indole-2-carboxylate
InChI:
InChI=1S/C13H14ClNO2/c1-4-17-13(16)11-8(3)9-6-5-7(2)10(14)12(9)15-11/h5-6,15H,4H2,1-3H3
InChI Key:
QMJSGYRUDCYFHP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1C)ccc(c2Cl)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.71g/mol
Monoisotopic Mass:
251.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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