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1227270-98-5 | 1H-Pyrrolo[2,3-b]pyridin-4-ol, 3-iodo-1-(phenylmethyl)-
CAS No: 1227270-98-5 Catalog No: AG000J7P MDL No:
Product Description
Catalog Number:
AG000J7P
Chemical Name:
1H-Pyrrolo[2,3-b]pyridin-4-ol, 3-iodo-1-(phenylmethyl)-
CAS Number:
1227270-98-5
Molecular Formula:
C14H11IN2O
Molecular Weight:
350.1544
IUPAC Name:
1-benzyl-3-iodo-7H-pyrrolo[2,3-b]pyridin-4-one
InChI:
InChI=1S/C14H11IN2O/c15-11-9-17(8-10-4-2-1-3-5-10)14-13(11)12(18)6-7-16-14/h1-7,9H,8H2,(H,16,18)
InChI Key:
ZNVPENCWWDLOFD-UHFFFAOYSA-N
SMILES:
Ic1cn(c2c1c(O)ccn2)Cc1ccccc1
Properties
Complexity:
352
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:
2
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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