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1190321-33-5 | 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5,6-dimethyl-
CAS No: 1190321-33-5 Catalog No: AG000HYW MDL No:
Product Description
Catalog Number:
AG000HYW
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5,6-dimethyl-
CAS Number:
1190321-33-5
Molecular Formula:
C9H9IN2
Molecular Weight:
272.0856
IUPAC Name:
3-iodo-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C9H9IN2/c1-5-3-7-8(10)4-11-9(7)12-6(5)2/h3-4H,1-2H3,(H,11,12)
InChI Key:
HEXYCUFHZIQROQ-UHFFFAOYSA-N
SMILES:
Cc1nc2[nH]cc(c2cc1C)I
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.089g/mol
Monoisotopic Mass:
271.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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