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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 561663Generated: October 24, 2026

2-Nitrobenzyl tosylate

2-Nitrobenzyl p-toluenesulfonate · (2-nitrophenyl)methyl 4-methylbenzenesulfonate · Benzenemethanol, 2-nitro-, 1-(4-methylbenzenesulfonate)

https://huagongshe.com/en/chemical/561663

2-Nitrobenzyl tosylate molecular structure

Identifiers & Physical Properties

CAS No.20444-09-1
Molecular formulaC14H13NO5S
Average molar mass307.32 g/mol
Monoisotopic mass307.05144369 g/mol
SMILESCc1ccc(S(=O)(=O)OCc2ccccc2[N+](=O)[O-])cc1
InChIKeyMCVVDMSWCQUKEV-UHFFFAOYSA-N
PubChem CID561663
DTXSIDDTXSID00340110

Chemical & Physical Properties

XLogP2.9
Topological polar surface area97.6
Hydrogen bond donors0
Hydrogen bond acceptors5
Rotatable bonds4
Heavy atoms21
Formal charge0
Complexity445
Boiling point476.0±33.0 °C(Predicted)
Density1.357±0.06 g/cm3(Predicted)
InChIInChI=1S/C14H13NO5S/c1-11-6-8-13(9-7-11)21(18,19)20-10-12-4-2-3-5-14(12)15(16)17/h2-9H,10H2,1H3
InChIKeyMCVVDMSWCQUKEV-UHFFFAOYSA-N
SMILESS(C1C=CC(C)=CC=1)(=O)(=O)OCC1C=CC=CC=1N(=O)=O