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Structure

[(2,4-Dichlorobenzylidene)(2-nitro-4-trifluorobenzyl)]acetic acid

CAS
38635-54-0
Catalog Number
ACM38635540
Category
Other Products
Molecular Weight
406.1402
Molecular Formula
C16H8Cl2F3NO4

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Specification

Synonyms
EINECS 254-047-9, ((2,4-Dichlorobenzylidene)(2-nitro-4-trifluorobenzyl))acetic acid, 38635-54-0
IUPAC Name
3-[7-(2,4-dichlorophenyl)-6-fluoro-4-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl]-3,3-difluoropropanoic acid
Canonical SMILES
C1=CC(=C(C(=CC2=C(C=C(C=C2)Cl)Cl)C1F)[N+](=O)[O-])C(CC(=O)O)(F)F
InChI Key
AXWLHZVOZMSJFL-UHFFFAOYSA-N
Boiling Point
457.8ºC at 760mmHg
Flash Point
230.6ºC
Density
1.584g/cm³
Exact Mass
404.97800
H-Bond Acceptor
7
H-Bond Donor
1
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