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1190313-88-2 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 3-iodo-, methyl ester
CAS No: 1190313-88-2 Catalog No: AG000HLW MDL No:MFCD12962693
Product Description
Catalog Number:
AG000HLW
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 3-iodo-, methyl ester
CAS Number:
1190313-88-2
Molecular Formula:
C9H7IN2O2
Molecular Weight:
302.0686
MDL Number:
MFCD12962693
IUPAC Name:
methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
InChI:
InChI=1S/C9H7IN2O2/c1-14-9(13)5-2-3-11-8-7(5)6(10)4-12-8/h2-4H,1H3,(H,11,12)
InChI Key:
AGRYNLLQXAWCJA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc2c1c(I)c[nH]2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.071g/mol
Monoisotopic Mass:
301.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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