4-nitrophenyl dodecanoate

4-nitrophenyl dodecanoate

CAS: 1956-11-2

Formula: C18H27NO4

SMILES: CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 4-nitrophenyl dodecanoate

InChI: InChI=1S/C18H27NO4/c1-2-3-4-5-6-7-8-9-10-11-18(20)23-17-14-12-16(13-15-17)19(21)22/h12-15H,2-11H2,1H3

Composition: C (67.26%), H (8.47%), N (4.36%), O (19.91%)

Molar Mass: 321.417

Atom Count: 50

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	321.194008353
Formal Charge	0
FSP3	0.61
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YNGNVZFHHJEZKD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	89.55
Topological Polar Surface Area	69.44
Polarizability	35.03
Ring Count	1
Rotatable Bond Count	13

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