(S)-(+)-Glycidyl-4-nitrobenzoate

C₉H₉NO₆SCAS 118712-60-0259.23 g/mol

Open in Covalent MOL file

Epoxide Ether Nitro Sulfonate ester

Properties

Molecular formula: C₉H₉NO₆S
Molar mass: 259.23 g/mol
Exact mass: 259.0151 Da
logP: 0.70Crippen estimate
Polar surface area: 99.0 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

118712-60-0

SMILES

C1[C@H](O1)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChIKey

CXYDYDCHYJXOEY-QMMMGPOBSA-N

InChI

InChI=1S/C9H9NO6S/c11-10(12)7-1-3-9(4-2-7)17(13,14)16-6-8-5-15-8/h1-4,8H,5-6H2/t8-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(S)-(+)-Glycidyl-4-nitrobenzenesulfonate

Work with (S)-(+)-Glycidyl-4-nitrobenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(R)-Glycidyl tosylate113826-06-559 % similar 2-[(4-Nitrophenoxy)methyl]oxirane5255-75-459 % similar (S)-Glycidyl tosylate70987-78-959 % similar 4-Nitrobenzenesulfonic acid138-42-145 % similar 4-Nitrobenzenesulfonamide6325-93-545 % similar 4-Nitrobenzenesulfonyl chloride98-74-845 % similar 1,4-Dinitrobenzene100-25-443 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-Glycidyl 3-nitrobenzenesulfonate115314-14-2 (R)-Glycidyl 3-nitrobenzenesulfonate115314-17-5 (R)-(-)-Glycidyl-4-nitrobenzenesulfonate123750-60-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook