Home Halogens 5-bromo-3-chloro-1H-indole-2-carboxylic acid

5-bromo-3-chloro-1H-indole-2-carboxylic acid

CAS No.:
902772-21-8
Catalog Number:
AG019MS6
Molecular Formula:
C9H5BrClNO2
Molecular Weight:
274.4985
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Product Description
Catalog Number:
AG019MS6
Chemical Name:
5-bromo-3-chloro-1H-indole-2-carboxylic acid
CAS Number:
902772-21-8
Molecular Formula:
C9H5BrClNO2
Molecular Weight:
274.4985
MDL Number:
MFCD11052579
IUPAC Name:
5-bromo-3-chloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H5BrClNO2/c10-4-1-2-6-5(3-4)7(11)8(12-6)9(13)14/h1-3,12H,(H,13,14)
InChI Key:
ZRJFJUYTJUUOAI-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(Cl)c([nH]2)C(=O)O
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.919g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
274.498g/mol
Monoisotopic Mass:
272.919g/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