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84333-69-7 | 1,2-Diazocine, 4,7-dichloro-3,8-diphenyl-
CAS No: 84333-69-7 Catalog No: AG004XQR MDL No:
Product Description
Catalog Number:
AG004XQR
Chemical Name:
1,2-Diazocine, 4,7-dichloro-3,8-diphenyl-
CAS Number:
84333-69-7
Molecular Formula:
C18H12Cl2N2
Molecular Weight:
327.2073
IUPAC Name:
(3E,5Z,7E)-4,7-dichloro-3,8-diphenyldiazocine
InChI:
InChI=1S/C18H12Cl2N2/c19-15-11-12-16(20)18(14-9-5-2-6-10-14)22-21-17(15)13-7-3-1-4-8-13/h1-12H/b12-11-,15-11?,16-12?,17-15+,18-16+,21-17?,22-18?,22-21?
InChI Key:
MKGANQDXIYOKEU-QHANDIEVSA-N
SMILES:
ClC1=C(N=NC(=C(C=C1)Cl)c1ccccc1)c1ccccc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
326.038g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.208g/mol
Monoisotopic Mass:
326.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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