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[(2S)-2-methyloxiran-2-yl]methyl 4-nitrobenzoate

[(2S)-2-methyloxiran-2-yl]methyl 4-nitrobenzoate

CAS: 118200-96-7

Formula: C11H11NO5

SMILES: C[C@@]1(COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)CO1

IUPAC: [(2S)-2-methyloxiran-2-yl]methyl 4-nitrobenzoate

InChI: InChI=1S/C11H11NO5/c1-11(7-17-11)6-16-10(13)8-2-4-9(5-3-8)12(14)15/h2-5H,6-7H2,1H3/t11-/m0/s1

Composition: C (55.70%), H (4.67%), N (5.90%), O (33.72%)

Molar Mass: 237.211

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 237.063722458
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey PUBTVFBOTFDPTA-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.79
Topological Polar Surface Area 81.97
Polarizability 22.21
Ring Count 2
Rotatable Bond Count 5

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