2,4-dinitro-6-(octan-2-yl)phenyl but-2-enoate

2,4-dinitro-6-(octan-2-yl)phenyl but-2-enoate

CAS: 131-72-6

Formula: C18H24N2O6

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

IUPAC: 2,4-dinitro-6-(octan-2-yl)phenyl but-2-enoate

InChI: InChI=1/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3

Composition: C (59.33%), H (6.64%), N (7.69%), O (26.34%)

Molar Mass: 364.398

Atom Count: 50

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	364.163436501
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	NIOPZPCMRQGZCE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	97.35
Topological Polar Surface Area	112.58
Polarizability	36.64
Ring Count	1
Rotatable Bond Count	11

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