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727993-70-6 | 1H-Pyrrolo[2,3-b]pyridine,2,3-dihydro-4-iodo-1-(4-methoxy-2-methylphenyl)-6-methyl-
CAS No: 727993-70-6 Catalog No: AG00ICBN MDL No:MFCD17926265
Product Description
Catalog Number:
AG00ICBN
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine,2,3-dihydro-4-iodo-1-(4-methoxy-2-methylphenyl)-6-methyl-
CAS Number:
727993-70-6
Molecular Formula:
C16H17IN2O
Molecular Weight:
380.2235
MDL Number:
MFCD17926265
IUPAC Name:
4-iodo-1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C16H17IN2O/c1-10-8-12(20-3)4-5-15(10)19-7-6-13-14(17)9-11(2)18-16(13)19/h4-5,8-9H,6-7H2,1-3H3
InChI Key:
WKGYFDIWKUXJEA-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C)N1CCc2c1nc(C)cc2I
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.039g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.229g/mol
Monoisotopic Mass:
380.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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