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114491-62-2 | Benzene, 1,1'-(1,2-ethanediyl)bis[2-(diazophenylmethyl)- (9CI)
CAS No: 114491-62-2 Catalog No: AG000EJE MDL No:
Product Description
Catalog Number:
AG000EJE
Chemical Name:
Benzene, 1,1'-(1,2-ethanediyl)bis[2-(diazophenylmethyl)- (9CI)
CAS Number:
114491-62-2
Molecular Formula:
C28H22N4
Molecular Weight:
414.5011
IUPAC Name:
1-[diazo(phenyl)methyl]-2-[2-[2-[diazo(phenyl)methyl]phenyl]ethyl]benzene
InChI:
InChI=1S/C28H22N4/c29-31-27(23-13-3-1-4-14-23)25-17-9-7-11-21(25)19-20-22-12-8-10-18-26(22)28(32-30)24-15-5-2-6-16-24/h1-18H,19-20H2
InChI Key:
YIYNOVXWILBQLO-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(c1ccccc1CCc1ccccc1C(=[N+]=[N-])c1ccccc1)c1ccccc1
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.184g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.512g/mol
Monoisotopic Mass:
414.184g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.6
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