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101234-85-9 | 5H-Cyclopenta[b]pyridine, 4-chloro-6,7-dihydro-, 1-oxide
CAS No: 101234-85-9 Catalog No: AG00040J MDL No:
Product Description
Catalog Number:
AG00040J
Chemical Name:
5H-Cyclopenta[b]pyridine, 4-chloro-6,7-dihydro-, 1-oxide
CAS Number:
101234-85-9
Molecular Formula:
C8H8ClNO
Molecular Weight:
169.6082
IUPAC Name:
4-chloro-1-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium
InChI:
InChI=1S/C8H8ClNO/c9-7-4-5-10(11)8-3-1-2-6(7)8/h4-5H,1-3H2
InChI Key:
ZBQBGIUQGMTBHC-UHFFFAOYSA-N
SMILES:
Clc1cc[n+](c2c1CCC2)[O-]
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.608g/mol
Monoisotopic Mass:
169.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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