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23560-69-2 | Dibenz[b,e]oxepin-11(6H)-one, 2-chloro-
CAS No: 23560-69-2 Catalog No: AG002NOC MDL No:
Product Description
Catalog Number:
AG002NOC
Chemical Name:
Dibenz[b,e]oxepin-11(6H)-one, 2-chloro-
CAS Number:
23560-69-2
Molecular Formula:
C14H9ClO2
Molecular Weight:
244.6731
IUPAC Name:
2-chloro-6H-benzo[c][1]benzoxepin-11-one
InChI:
InChI=1S/C14H9ClO2/c15-10-5-6-13-12(7-10)14(16)11-4-2-1-3-9(11)8-17-13/h1-7H,8H2
InChI Key:
KIEQOHOJVVIDNO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)c1ccccc1CO2
EC Number:
245-738-6
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.674g/mol
Monoisotopic Mass:
244.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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