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1190310-37-2 | 1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, 4-iodo-
CAS No: 1190310-37-2 Catalog No: AG000HG6 MDL No:
Product Description
Catalog Number:
AG000HG6
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, 4-iodo-
CAS Number:
1190310-37-2
Molecular Formula:
C8H5IN2O2
Molecular Weight:
288.0420
IUPAC Name:
4-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
InChI:
InChI=1S/C8H5IN2O2/c9-5-3-6(8(12)13)11-7-4(5)1-2-10-7/h1-3H,(H,10,11)(H,12,13)
InChI Key:
KPIJFVZLLBQEOO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(I)c2c(n1)[nH]cc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.044g/mol
Monoisotopic Mass:
287.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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