Home Halogens 5,6-dibromo-1H-indole-3-carboxylic acid

5,6-dibromo-1H-indole-3-carboxylic acid

CAS No.:
857809-64-4
Catalog Number:
AG019PCA
Molecular Formula:
C9H5Br2NO2
Molecular Weight:
318.9495
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Product Description
Catalog Number:
AG019PCA
Chemical Name:
5,6-dibromo-1H-indole-3-carboxylic acid
CAS Number:
857809-64-4
Molecular Formula:
C9H5Br2NO2
Molecular Weight:
318.9495
MDL Number:
MFCD08271830
IUPAC Name:
5,6-dibromo-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H5Br2NO2/c10-6-1-4-5(9(13)14)3-12-8(4)2-7(6)11/h1-3,12H,(H,13,14)
InChI Key:
ZUKDDHPPAUVCRA-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1cc(Br)c(c2)Br
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.867g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
318.952g/mol
Monoisotopic Mass:
316.869g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties