tert-butyl 4-nitrobenzoate

tert-butyl 4-nitrobenzoate

CAS: 19756-72-0

Formula: C11H13NO4

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

IUPAC: tert-butyl 4-nitrobenzoate

InChI: InChI=1S/C11H13NO4/c1-11(2,3)16-10(13)8-4-6-9(7-5-8)12(14)15/h4-7H,1-3H3

Composition: C (59.19%), H (5.87%), N (6.27%), O (28.67%)

Molar Mass: 223.228

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.084457903
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ADMFDTHMUXRMJQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.21
Topological Polar Surface Area	69.44
Polarizability	22.18
Ring Count	1
Rotatable Bond Count	4

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