tert-butyl 2-(4-nitrophenyl)acetate

tert-butyl 2-(4-nitrophenyl)acetate

CAS: 29704-38-9

Formula: C12H15NO4

SMILES: CC(C)(C)OC(=O)CC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: tert-butyl 2-(4-nitrophenyl)acetate

InChI: InChI=1S/C12H15NO4/c1-12(2,3)17-11(14)8-9-4-6-10(7-5-9)13(15)16/h4-7H,8H2,1-3H3

Composition: C (60.75%), H (6.37%), N (5.90%), O (26.97%)

Molar Mass: 237.255

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	237.100107967
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DQXJXWHNSVKMAT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.26
Topological Polar Surface Area	69.44
Polarizability	24.03
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	29704-38-9		$190.41-$844.87$190.41$237.07$844.87