bis(2,4-dinitrophenyl) oxalate

bis(2,4-dinitrophenyl) oxalate

CAS: 16536-30-4

Formula: C14H6N4O12

SMILES: [O-][N+](=O)C1=CC=C(OC(=O)C(=O)OC2=CC=C(C=C2[N+]([O-])=O)[N+]([O-])=O)C(=C1)[N+]([O-])=O

IUPAC: bis(2,4-dinitrophenyl) oxalate

InChI: InChI=1S/C14H6N4O12/c19-13(29-11-3-1-7(15(21)22)5-9(11)17(25)26)14(20)30-12-4-2-8(16(23)24)6-10(12)18(27)28/h1-6H

Composition: C (39.83%), H (1.43%), N (13.27%), O (45.47%)

Molar Mass: 422.218

Atom Count: 36

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	421.998221649
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
InChIKey	CBZOGAWUNMFXFQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.81
Topological Polar Surface Area	225.16
Polarizability	33.29
Ring Count	2
Rotatable Bond Count	9

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