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1190318-85-4 | 1H-Pyrrolo[3,2-b]pyridine, 3-iodo-7-methoxy-
CAS No: 1190318-85-4 Catalog No: AG000HTA MDL No:MFCD12963141
Product Description
Catalog Number:
AG000HTA
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 3-iodo-7-methoxy-
CAS Number:
1190318-85-4
Molecular Formula:
C8H7IN2O
Molecular Weight:
274.0584
MDL Number:
MFCD12963141
IUPAC Name:
3-iodo-7-methoxy-1H-pyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C8H7IN2O/c1-12-6-2-3-10-7-5(9)4-11-8(6)7/h2-4,11H,1H3
InChI Key:
FXBWVCFNVDMWGE-UHFFFAOYSA-N
SMILES:
COc1ccnc2c1[nH]cc2I
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.061g/mol
Monoisotopic Mass:
273.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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