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131119-01-2 | 1H-Indole-2-acetic acid, 3-carboxy-1-methyl-, 2-(2-chloroethyl) ester
CAS No: 131119-01-2 Catalog No: AG000VJA MDL No:
Product Description
Catalog Number:
AG000VJA
Chemical Name:
1H-Indole-2-acetic acid, 3-carboxy-1-methyl-, 2-(2-chloroethyl) ester
CAS Number:
131119-01-2
Molecular Formula:
C14H14ClNO4
Molecular Weight:
295.7183
IUPAC Name:
2-[2-(2-chloroethoxy)-2-oxoethyl]-1-methylindole-3-carboxylic acid
InChI:
InChI=1S/C14H14ClNO4/c1-16-10-5-3-2-4-9(10)13(14(18)19)11(16)8-12(17)20-7-6-15/h2-5H,6-8H2,1H3,(H,18,19)
InChI Key:
ORFLDOJIHBGTDF-UHFFFAOYSA-N
SMILES:
ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.061g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.719g/mol
Monoisotopic Mass:
295.061g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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