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2-Amino-3-fluoro-6-methylbenzoic acid - ≥95%, high purity , CAS No.1039981-89-9

COA

Grade & Purity:

≥95%

Cas Number: 1039981-89-9
Molecular Weight: 169.15
MDL number: MFCD11183541
PubChem CID: 28881279

In stock

Item Number

A770074

Grouped product items
SKU	Size	Availability	Price	Qty
A770074-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$71.90
A770074-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$611.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Protected from light,Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Aminobenzoic acids and derivatives
        Level6 Aminobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Aminobenzoic acids and derivatives
Direct Parent	Aminobenzoic acids
Alternative Parents	3-halobenzoic acids Halobenzoic acids Benzoic acids Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous amides Amino acids Carboxylic acids Organic oxides Organofluorides Organooxygen compounds Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Aminotoluene - Aniline or substituted anilines - Fluorobenzene - Toluene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous amide - Amino acid - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
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	2-amino-3-fluoro-6-methylbenzoic acid
INCHI	InChI=1S/C8H8FNO2/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKey	IQPXEMQKUBIGKY-UHFFFAOYSA-N
Smiles	CC1=C(C(=C(C=C1)F)N)C(=O)O
Isomeric SMILES	CC1=C(C(=C(C=C1)F)N)C(=O)O
PubChem CID	28881279
Molecular Weight	169.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	169.150 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	169.054 Da
Monoisotopic Mass	169.054 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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