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133330-59-3 | 11H-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-one, 8-chloro-5,6-dihydro-, 1-oxide
CAS No: 133330-59-3 Catalog No: AG0014NR MDL No:
Product Description
Catalog Number:
AG0014NR
Chemical Name:
11H-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-one, 8-chloro-5,6-dihydro-, 1-oxide
CAS Number:
133330-59-3
Molecular Formula:
C14H10ClNO2
Molecular Weight:
259.6877
IUPAC Name:
13-chloro-4-oxido-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
InChI:
InChI=1S/C14H10ClNO2/c15-11-5-6-12-10(8-11)4-3-9-2-1-7-16(18)13(9)14(12)17/h1-2,5-8H,3-4H2
InChI Key:
ZESQMAMHQHLMIT-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)CCc1c(C2=O)[n+]([O-])ccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.689g/mol
Monoisotopic Mass:
259.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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