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141106-24-3 | 1-Benzoxepin-5(2H)-one, 9-chloro-3,4-dihydro-
CAS No: 141106-24-3 Catalog No: AG001FXI MDL No:MFCD03695449
Product Description
Catalog Number:
AG001FXI
Chemical Name:
1-Benzoxepin-5(2H)-one, 9-chloro-3,4-dihydro-
CAS Number:
141106-24-3
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
MDL Number:
MFCD03695449
IUPAC Name:
9-chloro-3,4-dihydro-2H-1-benzoxepin-5-one
InChI:
InChI=1S/C10H9ClO2/c11-8-4-1-3-7-9(12)5-2-6-13-10(7)8/h1,3-4H,2,5-6H2
InChI Key:
SZQUVULWIGCGSM-UHFFFAOYSA-N
SMILES:
O=C1CCCOc2c1cccc2Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.63g/mol
Monoisotopic Mass:
196.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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