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1227270-65-6 | 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-4-(phenylmethoxy)-
CAS No: 1227270-65-6 Catalog No: AG000J7E MDL No:MFCD16875995
Product Description
Catalog Number:
AG000J7E
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-iodo-4-(phenylmethoxy)-
CAS Number:
1227270-65-6
Molecular Formula:
C14H11IN2O
Molecular Weight:
350.1544
MDL Number:
MFCD16875995
IUPAC Name:
3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H11IN2O/c15-11-8-17-14-13(11)12(6-7-16-14)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChI Key:
MDJCZFWKMPSCSL-UHFFFAOYSA-N
SMILES:
Ic1c[nH]c2c1c(ccn2)OCc1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.992g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.159g/mol
Monoisotopic Mass:
349.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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