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1049677-63-5 | 5,7-Dichloro-3-carboxyindole
CAS No: 1049677-63-5 Catalog No: AG01FF8L MDL No:
Product Description
Catalog Number:
AG01FF8L
Chemical Name:
5,7-Dichloro-3-carboxyindole
CAS Number:
1049677-63-5
Molecular Formula:
C9H5Cl2NO2
Molecular Weight:
230.0475
IUPAC Name:
5,7-dichloro-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H5Cl2NO2/c10-4-1-5-6(9(13)14)3-12-8(5)7(11)2-4/h1-3,12H,(H,13,14)
InChI Key:
KNHSHFDVTUDMFM-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)c(c[nH]2)C(=O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.97g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.044g/mol
Monoisotopic Mass:
228.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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