2-(2,4-di-tert-butylphenoxy)ethyl 4-nitrobenzoate

2-(2,4-di-tert-butylphenoxy)ethyl 4-nitrobenzoate

Formula: C23H29NO5

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

IUPAC: 2-(2,4-di-tert-butylphenoxy)ethyl 4-nitrobenzoate

InChI: InChI=1S/C23H29NO5/c1-22(2,3)17-9-12-20(19(15-17)23(4,5)6)28-13-14-29-21(25)16-7-10-18(11-8-16)24(26)27/h7-12,15H,13-14H2,1-6H3

Composition: C (69.15%), H (7.32%), N (3.51%), O (20.02%)

Molar Mass: 399.487

Atom Count: 58

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	399.204573038
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	NKBOHQIDOWPHPW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	112.29
Topological Polar Surface Area	78.67
Polarizability	43.29
Ring Count	2
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H29NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00