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Home > Aldehydes > 1190312-11-8
1190312-11-8 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 3-iodo-6-methoxy-
CAS No: 1190312-11-8 Catalog No: AG000HJ2 MDL No:
Product Description
Catalog Number:
AG000HJ2
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 3-iodo-6-methoxy-
CAS Number:
1190312-11-8
Molecular Formula:
C9H7IN2O2
Molecular Weight:
302.0685
IUPAC Name:
3-iodo-6-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
InChI:
InChI=1S/C9H7IN2O2/c1-14-7-2-5(4-13)8-6(10)3-11-9(8)12-7/h2-4H,1H3,(H,11,12)
InChI Key:
WXSANINMGUPJBU-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c2c(n1)[nH]cc2I
Properties
Complexity:
227
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:
1.7
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