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5833-18-1

5833-18-1 | BIS(2,4-DINITROPHENYL)ACETIC ACID ETHYL ESTER

CAS No: 5833-18-1 Catalog No: AG003O84 MDL No:MFCD00051351

Product Description

Catalog Number:
AG003O84
Chemical Name:
BIS(2,4-DINITROPHENYL)ACETIC ACID ETHYL ESTER
CAS Number:
5833-18-1
MDL Number:
MFCD00051351
IUPAC Name:
ethyl 2,2-bis(2,4-dinitrophenyl)acetate
InChI:
InChI=1S/C16H12N4O10/c1-2-30-16(21)15(11-5-3-9(17(22)23)7-13(11)19(26)27)12-6-4-10(18(24)25)8-14(12)20(28)29/h3-8,15H,2H2,1H3
InChI Key:
CMVIALRRHVVWIW-UHFFFAOYSA-N
EC Number:
227-415-1
NSC Number:
8659

Properties

Complexity:
644  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.055g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.29g/mol
Monoisotopic Mass:
420.055g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
210A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Literature

Title Journal
Methyl 2,2-bis-(2,4-dinitro-phen-yl)ethano-ate. Acta crystallographica. Section E, Structure reports online 20111001

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