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133330-61-7 | 11H-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-one, 2,8-dichloro-5,6-dihydro-
CAS No: 133330-61-7 Catalog No: AG0014NP MDL No:
Product Description
Catalog Number:
AG0014NP
Chemical Name:
11H-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-one, 2,8-dichloro-5,6-dihydro-
CAS Number:
133330-61-7
Molecular Formula:
C14H9Cl2NO
Molecular Weight:
278.1334
IUPAC Name:
5,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
InChI:
InChI=1S/C14H9Cl2NO/c15-10-4-5-11-9(7-10)2-1-8-3-6-12(16)17-13(8)14(11)18/h3-7H,1-2H2
InChI Key:
HGCFDJOSJCJZAR-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)CCc1c(C2=O)nc(cc1)Cl
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.006g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.132g/mol
Monoisotopic Mass:
277.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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