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1190314-97-6 | 1H-Pyrrolo[2,3-b]pyridine, 6-chloro-3-iodo-4-methoxy-
CAS No: 1190314-97-6 Catalog No: AG000HN0 MDL No:
Product Description
Catalog Number:
AG000HN0
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-chloro-3-iodo-4-methoxy-
CAS Number:
1190314-97-6
Molecular Formula:
C8H6ClIN2O
Molecular Weight:
308.5035
IUPAC Name:
6-chloro-3-iodo-4-methoxy-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H6ClIN2O/c1-13-5-2-6(9)12-8-7(5)4(10)3-11-8/h2-3H,1H3,(H,11,12)
InChI Key:
WMMGVRURFFBGKX-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)nc2c1c(I)c[nH]2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.921g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.503g/mol
Monoisotopic Mass:
307.921g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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