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132623-18-8 | 1H-Indole-3-acetic acid, 6-chloro-2-(ethoxycarbonyl)-
CAS No: 132623-18-8 Catalog No: AG0010WR MDL No:
Product Description
Catalog Number:
AG0010WR
Chemical Name:
1H-Indole-3-acetic acid, 6-chloro-2-(ethoxycarbonyl)-
CAS Number:
132623-18-8
Molecular Formula:
C13H12ClNO4
Molecular Weight:
281.6917
IUPAC Name:
2-(6-chloro-2-ethoxycarbonyl-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C13H12ClNO4/c1-2-19-13(18)12-9(6-11(16)17)8-4-3-7(14)5-10(8)15-12/h3-5,15H,2,6H2,1H3,(H,16,17)
InChI Key:
YAIIFCKGFTZUMI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1CC(=O)O)ccc(c2)Cl
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.692g/mol
Monoisotopic Mass:
281.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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