Home Halogens 3,5-Dichloro-1H-indole-2-carboxylic acid

3,5-Dichloro-1H-indole-2-carboxylic acid

CAS No.:
167631-51-8
Catalog Number:
AG00JB2A
Molecular Formula:
C9H5Cl2NO2
Molecular Weight:
230.0475
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Product Description
Catalog Number:
AG00JB2A
Chemical Name:
3,5-Dichloro-1H-indole-2-carboxylic acid
CAS Number:
167631-51-8
Molecular Formula:
C9H5Cl2NO2
Molecular Weight:
230.0475
MDL Number:
MFCD11052577
IUPAC Name:
3,5-dichloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H5Cl2NO2/c10-4-1-2-6-5(3-4)7(11)8(12-6)9(13)14/h1-3,12H,(H,13,14)
InChI Key:
ZCIAFCCXZJTKSS-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(Cl)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:
3.2  
Properties