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1000342-52-8 | 1H-Pyrrolo[3,2-c]pyridine, 4-chloro-1-(phenylmethyl)-, 5-oxide
CAS No: 1000342-52-8 Catalog No: AG0000JH MDL No:
Product Description
Catalog Number:
AG0000JH
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine, 4-chloro-1-(phenylmethyl)-, 5-oxide
CAS Number:
1000342-52-8
Molecular Formula:
C14H11ClN2O
Molecular Weight:
258.7029
IUPAC Name:
1-benzyl-4-chloro-5-oxidopyrrolo[3,2-c]pyridin-5-ium
InChI:
InChI=1S/C14H11ClN2O/c15-14-12-6-8-16(13(12)7-9-17(14)18)10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
FMPZHLGXLMWMRA-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc2c(c1Cl)ccn2Cc1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.705g/mol
Monoisotopic Mass:
258.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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