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123953-62-8 | 3,5-Heptanedione, 1,7-bis(4-chlorophenyl)-4-diazo-
CAS No: 123953-62-8 Catalog No: AG000L9X MDL No:
Product Description
Catalog Number:
AG000L9X
Chemical Name:
3,5-Heptanedione, 1,7-bis(4-chlorophenyl)-4-diazo-
CAS Number:
123953-62-8
Molecular Formula:
C19H16Cl2N2O2
Molecular Weight:
375.2485
IUPAC Name:
1,7-bis(4-chlorophenyl)-4-diazoheptane-3,5-dione
InChI:
InChI=1S/C19H16Cl2N2O2/c20-15-7-1-13(2-8-15)5-11-17(24)19(23-22)18(25)12-6-14-3-9-16(21)10-4-14/h1-4,7-10H,5-6,11-12H2
InChI Key:
GXJYVHCZGWWYAV-UHFFFAOYSA-N
SMILES:
O=C(C(=[N+]=[N-])C(=O)CCc1ccc(cc1)Cl)CCc1ccc(cc1)Cl
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.059g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.249g/mol
Monoisotopic Mass:
374.059g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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