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186392-94-9 | 5,6-dichloro-1H-indole-2-carboxylic acid
CAS No: 186392-94-9 Catalog No: AG00ARX9 MDL No:MFCD09802223
Product Description
Catalog Number:
AG00ARX9
Chemical Name:
5,6-dichloro-1H-indole-2-carboxylic acid
CAS Number:
186392-94-9
Molecular Formula:
C9H5Cl2NO2
Molecular Weight:
230.0475
MDL Number:
MFCD09802223
IUPAC Name:
5,6-dichloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H5Cl2NO2/c10-5-1-4-2-8(9(13)14)12-7(4)3-6(5)11/h1-3,12H,(H,13,14)
InChI Key:
PITVZRMNFBGRFW-UHFFFAOYSA-N
SMILES:
Clc1cc2[nH]c(cc2cc1Cl)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:
3.2
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