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923583-56-6 | 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-(phenylthio)-
CAS No: 923583-56-6 Catalog No: AG00670K MDL No:
Product Description
Catalog Number:
AG00670K
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-(phenylthio)-
CAS Number:
923583-56-6
Molecular Formula:
C13H9IN2S
Molecular Weight:
352.1934
IUPAC Name:
3-iodo-5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H9IN2S/c14-12-8-16-13-11(12)6-10(7-15-13)17-9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChI Key:
NVRUNNXKDBECGD-UHFFFAOYSA-N
SMILES:
Ic1c[nH]c2c1cc(cn2)Sc1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.953g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.193g/mol
Monoisotopic Mass:
351.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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