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Home > Pyridines > 867034-27-3
867034-27-3 | 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridine
CAS No: 867034-27-3 Catalog No: AG004O64 MDL No:MFCD16875877
Product Description
Catalog Number:
AG004O64
Chemical Name:
1-(Phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridine
CAS Number:
867034-27-3
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
MDL Number:
MFCD16875877
IUPAC Name:
1-(benzenesulfonyl)pyrrolo[2,3-c]pyridine
InChI:
InChI=1S/C13H10N2O2S/c16-18(17,12-4-2-1-3-5-12)15-9-7-11-6-8-14-10-13(11)15/h1-10H
InChI Key:
OFEJGFIYSBWASK-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1ccc2c1cncc2)c1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.295g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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