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76259-14-8 | 2,8-DICHLORO-5,11-DIMETHYL-5,6,11,12-TETRAHYDRODIBENZO[B,F][1,5]DIAZOCINE
CAS No: 76259-14-8 Catalog No: AG005EKM MDL No:
Product Description
Catalog Number:
AG005EKM
Chemical Name:
2,8-DICHLORO-5,11-DIMETHYL-5,6,11,12-TETRAHYDRODIBENZO[B,F][1,5]DIAZOCINE
CAS Number:
76259-14-8
Molecular Formula:
C16H16Cl2N2
Molecular Weight:
307.2176
IUPAC Name:
2,8-dichloro-5,11-dimethyl-6,12-dihydrobenzo[c][1,5]benzodiazocine
InChI:
InChI=1S/C16H16Cl2N2/c1-19-9-11-7-14(18)4-6-16(11)20(2)10-12-8-13(17)3-5-15(12)19/h3-8H,9-10H2,1-2H3
InChI Key:
XSTXXDLHNWWMHK-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)CN(C)c1c(CN2C)cc(cc1)Cl
NSC Number:
374043
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.218g/mol
Monoisotopic Mass:
306.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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