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3-Fluoro-4-(Hydroxymethyl)Benzoic Acid - ≥95%, high purity , CAS No.214554-16-2

COA

Grade & Purity:

≥95%

Cas Number: 214554-16-2
Molecular Weight: 170.14
PubChem CID: 10130161

In stock

Item Number

F710551

Grouped product items
SKU	Size	Availability	Price	Qty
F710551-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$819.90
F710551-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,365.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	Halobenzoic acids
Alternative Parents	3-halobenzoic acids Benzoic acids Benzyl alcohols Benzoyl derivatives Fluorobenzenes Aryl fluorides Carboxylic acids Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Benzyl alcohol - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Carboxylic acid - Carboxylic acid derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
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-fluoro-4-(hydroxymethyl)benzoic acid
INCHI	InChI=1S/C8H7FO3/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3,10H,4H2,(H,11,12)
InChIKey	HPVLUHTXWWJJHM-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(=O)O)F)CO
Isomeric SMILES	C1=CC(=C(C=C1C(=O)O)F)CO
PubChem CID	10130161
Molecular Weight	170.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	170.140 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	170.038 Da
Monoisotopic Mass	170.038 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172.000
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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