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Home > Nitro Compounds > 864434-03-7
864434-03-7 | 3-Cyclobutene-1,2-dione, 3,4-bis(4-nitrophenoxy)-
CAS No: 864434-03-7 Catalog No: AG004XAC MDL No:
Product Description
Catalog Number:
AG004XAC
Chemical Name:
3-Cyclobutene-1,2-dione, 3,4-bis(4-nitrophenoxy)-
CAS Number:
864434-03-7
Molecular Formula:
C16H8N2O8
Molecular Weight:
356.2433
IUPAC Name:
3,4-bis(4-nitrophenoxy)cyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C16H8N2O8/c19-13-14(20)16(26-12-7-3-10(4-8-12)18(23)24)15(13)25-11-5-1-9(2-6-11)17(21)22/h1-8H
InChI Key:
KZDQYKUXKTURRA-UHFFFAOYSA-N
SMILES:
O=C1C(=O)C(=C1Oc1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.028g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.246g/mol
Monoisotopic Mass:
356.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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