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2-(((Benzyloxy)carbonyl)amino)-3，3，3-trifluoropropanoic acid - ≥97%, high purity , CAS No.10068-52-7

COA

Grade & Purity:

≥97%

Cas Number: 10068-52-7
Molecular Weight: 277.2
PubChem CID: 23237020

In stock

Item Number

C731063

Grouped product items
SKU	Size	Availability	Price	Qty
C731063-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$228.90
C731063-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$461.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyloxycarbonyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Alpha amino acids and derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alpha-amino acid or derivatives - Benzyloxycarbonyl - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)propanoic acid
INCHI	InChI=1S/C11H10F3NO4/c12-11(13,14)8(9(16)17)15-10(18)19-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17)
InChIKey	JBNIYYRTJUAMKZ-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)COC(=O)NC(C(=O)O)C(F)(F)F
Isomeric SMILES	C1=CC=C(C=C1)COC(=O)NC(C(=O)O)C(F)(F)F
Alternate CAS	10068-52-7
PubChem CID	23237020
Molecular Weight	277.2

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	277.200 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	277.056 Da
Monoisotopic Mass	277.056 Da
Topological Polar Surface Area	75.600 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	326.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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