tert-butyl 3-(4-nitrophenyl)azetidine-1-carboxylate

tert-butyl 3-(4-nitrophenyl)azetidine-1-carboxylate

CAS: 883901-62-0

Formula: C14H18N2O4

SMILES: CC(C)(C)OC(=O)N1CC(C1)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: tert-butyl 3-(4-nitrophenyl)azetidine-1-carboxylate

InChI: InChI=1S/C14H18N2O4/c1-14(2,3)20-13(17)15-8-11(9-15)10-4-6-12(7-5-10)16(18)19/h4-7,11H,8-9H2,1-3H3

Composition: C (60.42%), H (6.52%), N (10.07%), O (22.99%)

Molar Mass: 278.308

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	278.126657068
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YCAFGVYPCOAQQZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.42
Topological Polar Surface Area	72.68
Polarizability	28.13
Ring Count	2
Rotatable Bond Count	4

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