Home Carboxys 3-iodo-1H-indole-5-carboxylic acid

3-iodo-1H-indole-5-carboxylic acid

CAS No.:
1308644-52-1
Catalog Number:
AG01AGWL
Molecular Formula:
C9H6INO2
Molecular Weight:
287.0539
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Product Description
Catalog Number:
AG01AGWL
Chemical Name:
3-iodo-1H-indole-5-carboxylic acid
CAS Number:
1308644-52-1
Molecular Formula:
C9H6INO2
Molecular Weight:
287.0539
MDL Number:
MFCD18089660
IUPAC Name:
3-iodo-1H-indole-5-carboxylic acid
InChI:
InChI=1S/C9H6INO2/c10-7-4-11-8-2-1-5(9(12)13)3-6(7)8/h1-4,11H,(H,12,13)
InChI Key:
NQRKORQSFPAVTN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(I)c[nH]c2cc1
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.944g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
287.056g/mol
Monoisotopic Mass:
286.944g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties