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1977-10-2 | Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-
CAS No: 1977-10-2 Catalog No: AG002AYT MDL No:
Product Description
Catalog Number:
AG002AYT
Chemical Name:
Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-
CAS Number:
1977-10-2
Molecular Formula:
C18H18ClN3O
Molecular Weight:
327.8080
IUPAC Name:
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
InChI:
InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
InChI Key:
XJGVXQDUIWGIRW-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2
EC Number:
217-835-3
UNII:
LER583670J
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.114g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.812g/mol
Monoisotopic Mass:
327.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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