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Structure

2-(2-Nitro-4-trifluoromethyl-phenylsulfanyl)-benzoic acid

CAS
1545-75-1
Catalog Number
ACM1545751
Category
Other Products
Molecular Weight
343.278
Molecular Formula
C14H8F3NO4S

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Specification

Synonyms
ZINC02872929, CID2225589, 1545-75-1
IUPAC Name
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate
Canonical SMILES
C1=CC=C(C(=C1)C(=O)O)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
InChI Key
MXLQVAQMSZOUEX-UHFFFAOYSA-M
Boiling Point
421.6ºC at 760mmHg
Flash Point
208.8ºC
Density
g/cm³
Exact Mass
343.01300
H-Bond Acceptor
7
H-Bond Donor
0
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