CAS
781595-59-3 Purity
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781595-59-3 Purity
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5-Nitro-2-p-tolylsulfanyl-benzoic acid
CAS
78160-05-1
Catalog Number
ACM78160051
Category
Other Products
Molecular Weight
289.31
Molecular Formula
C14H11NO4S
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Specification
Synonyms
ZINC03290407, CID2405950, 78160-05-1
IUPAC Name
2-(4-methylphenyl)sulfanyl-5-nitrobenzoate
Canonical SMILES
CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O
InChI Key
IOGPWPIPIPXYDP-UHFFFAOYSA-M
Boiling Point
478.6ºC at 760 mmHg
Flash Point
243.2ºC
Density
1.42g/cm³
Exact Mass
289.04100
H-Bond Acceptor
4
H-Bond Donor
0
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