CAS
93110-05-5 Purity
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93110-05-5 Purity
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Benzoic-2,3,5,6-d4acid,4-fluoro-
CAS
93111-25-2
Catalog Number
ACM93111252
Category
Other Products
Molecular Weight
144.14
Molecular Formula
C7HD4FO2
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Specification
Synonyms
4-FLUOROBENZAMIDE-2,3,5,6-D4;4-FLUOROBENZOIC-D4 ACID
IUPAC Name
2,3,5,6-tetradeuterio-4-fluorobenzoicacid
Canonical SMILES
C1=CC(=CC=C1C(=O)O)F
InChI Key
BBYDXOIZLAWGSL-RHQRLBAQSA-N
Boiling Point
253.687ºC at 760 mmHg
Flash Point
107.226ºC
Density
1.358 g/cm³
Exact Mass
144.05200
What is the molecular formula of Benzoic-2,3,5,6-d4acid,4-fluoro-?
The molecular formula is C7H5FO2.
What is the molecular weight of Benzoic-2,3,5,6-d4acid,4-fluoro-?
The molecular weight is 144.14 g/mol.
What is the IUPAC name of Benzoic-2,3,5,6-d4acid,4-fluoro-?
The IUPAC name is 2,3,5,6-tetradeuterio-4-fluorobenzoic acid.
What is the InChI of Benzoic-2,3,5,6-d4acid,4-fluoro-?
The InChI is InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/i1D,2D,3D,4D.
What is the InChIKey of Benzoic-2,3,5,6-d4acid,4-fluoro-?
The InChIKey is BBYDXOIZLAWGSL-RHQRLBAQSA-N.
What is the canonical SMILES of Benzoic-2,3,5,6-d4acid,4-fluoro-?
The canonical SMILES is C1=CC(=CC=C1C(=O)O)F.
What is the isomeric SMILES of Benzoic-2,3,5,6-d4acid,4-fluoro-?
The isomeric SMILES is [2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])F)[2H].
What is the XLogP3 value of Benzoic-2,3,5,6-d4acid,4-fluoro-?
The XLogP3 value is 2.1.
How many hydrogen bond donor counts does Benzoic-2,3,5,6-d4acid,4-fluoro- have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Benzoic-2,3,5,6-d4acid,4-fluoro- have?
It has 3 hydrogen bond acceptor counts.
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