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1190322-88-3 | 1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 3-iodo-, methyl ester
CAS No: 1190322-88-3 Catalog No: AG000I3A MDL No:
Product Description
Catalog Number:
AG000I3A
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 3-iodo-, methyl ester
CAS Number:
1190322-88-3
Molecular Formula:
C9H7IN2O2
Molecular Weight:
302.0685
IUPAC Name:
methyl 3-iodo-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
InChI:
InChI=1S/C9H7IN2O2/c1-14-9(13)5-2-7-8(12-3-5)6(10)4-11-7/h2-4,11H,1H3
InChI Key:
NLWUOXQLRUYOQW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)[nH]cc2I
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:
1.6
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