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167631-58-5 | 1H-Indole-2-carboxylic acid, 3-iodo-
CAS No: 167631-58-5 Catalog No: AG001XI0 MDL No:MFCD06657947
Product Description
Catalog Number:
AG001XI0
Chemical Name:
1H-Indole-2-carboxylic acid, 3-iodo-
CAS Number:
167631-58-5
Molecular Formula:
C9H6INO2
Molecular Weight:
287.0539
MDL Number:
MFCD06657947
IUPAC Name:
3-iodo-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H6INO2/c10-7-5-3-1-2-4-6(5)11-8(7)9(12)13/h1-4,11H,(H,12,13)
InChI Key:
BKUHHQRXJHGQCF-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c2c(c1I)cccc2
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:
2.6
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