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Home > Nitro Compounds > 67245-85-6
67245-85-6 | Bis(4-nitrobenzyl) Malonate , 98%
CAS No: 67245-85-6 Catalog No: AG003O9S MDL No:MFCD00191671
Product Description
Catalog Number:
AG003O9S
Chemical Name:
Bis(4-nitrobenzyl) Malonate , 98%
CAS Number:
67245-85-6
MDL Number:
MFCD00191671
IUPAC Name:
bis[(4-nitrophenyl)methyl] propanedioate
InChI:
InChI=1S/C17H14N2O8/c20-16(26-10-12-1-5-14(6-2-12)18(22)23)9-17(21)27-11-13-3-7-15(8-4-13)19(24)25/h1-8H,9-11H2
InChI Key:
RBVOYZBIDZCDBO-UHFFFAOYSA-N
NSC Number:
229411
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.075g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.305g/mol
Monoisotopic Mass:
374.075g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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