Home Halogens 1H-Indole-2-carboxylic acid, 4,5-dichloro-

1H-Indole-2-carboxylic acid, 4,5-dichloro-

CAS No.:
231295-84-4
Catalog Number:
AG002M9P
Molecular Formula:
C9H5Cl2NO2
Molecular Weight:
230.0475
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Product Description
Catalog Number:
AG002M9P
Chemical Name:
1H-Indole-2-carboxylic acid, 4,5-dichloro-
CAS Number:
231295-84-4
Molecular Formula:
C9H5Cl2NO2
Molecular Weight:
230.0475
MDL Number:
MFCD02664456
IUPAC Name:
4,5-dichloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H5Cl2NO2/c10-5-1-2-6-4(8(5)11)3-7(12-6)9(13)14/h1-3,12H,(H,13,14)
InChI Key:
STMAOBOTFAMOLD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)ccc(c2Cl)Cl
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  
Properties