methyl 1-(3-nitrophenyl)azetidine-3-carboxylate

methyl 1-(3-nitrophenyl)azetidine-3-carboxylate

CAS: 887596-02-3

Formula: C11H12N2O4

SMILES: COC(=O)C1CN(C1)C1=CC(=CC=C1)[N+]([O-])=O

IUPAC: methyl 1-(3-nitrophenyl)azetidine-3-carboxylate

InChI: InChI=1S/C11H12N2O4/c1-17-11(14)8-6-12(7-8)9-3-2-4-10(5-9)13(15)16/h2-5,8H,6-7H2,1H3

Composition: C (55.93%), H (5.12%), N (11.86%), O (27.09%)

Molar Mass: 236.227

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	236.079706874
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	PXRGKYXXGIETHW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.45
Topological Polar Surface Area	72.68
Polarizability	22.66
Ring Count	2
Rotatable Bond Count	4

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