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Structure

4-(Trifluoromethyl)benzoic acid--13C

CAS
698999-46-1
Catalog Number
ACM698999461
Category
Other Products
Molecular Weight
191.11
Molecular Formula
C8H5F3O2

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Specification

Synonyms
SureCN1330891, 4-(Trifluoromethyl)benzoic acid-|A-13C, |A,|A,|A-Trifluoro-p-toluic-carboxy-13C acid, 698999-46-1
IUPAC Name
4-(trifluoromethyl)benzoic acid
Canonical SMILES
C1=CC(=CC=C1C(=O)O)C(F)(F)F
InChI Key
SWKPKONEIZGROQ-CDYZYAPPSA-N
Melting Point
220ºC(lit.)
Exact Mass
191.02800
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
1
Safety Description
26
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