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Structure

Phenyl 2-methyl-5-nitrobenzene sulfonate

CAS
85896-03-3
Catalog Number
ACM85896033
Category
Other Products
Molecular Weight
293.2951
Molecular Formula
C13H11NO5S

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Specification

Synonyms
Ambcb5211987, MolPort-001-894-180, ZINC02952833, EINECS 288-780-0, CID2268936, Phenyl 2-methyl-5-nitrobenzenesulphonate, BAS 00222426, 2-Methyl-5-nitro-benzenesulfonic acid phenyl ester, 85896-03-3
IUPAC Name
phenyl 2-methyl-5-nitrobenzenesulfonate
Canonical SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2
InChI Key
DUEHZNNBLUTVHR-UHFFFAOYSA-N
Boiling Point
473.3ºC at 760mmHg
Flash Point
240ºC
Density
1.388g/cm³
EC Number
288-780-0
Exact Mass
293.03600
H-Bond Acceptor
5
H-Bond Donor
0
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