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7-Bromo-2，2-dimethylchroman-4-one - ≥97%, high purity , CAS No.130200-01-0

COA

Grade & Purity:

≥97%

Cas Number: 130200-01-0
Molecular Weight: 255.11
PubChem CID: 14755365

In stock

Item Number

B691867

Grouped product items
SKU	Size	Availability	Price
B691867-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$68.90
B691867-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$171.90
B691867-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$527.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	2,2-dimethyl-1-benzopyrans
Alternative Parents	Chromones Aryl alkyl ketones Alkyl aryl ethers Benzenoids Aryl bromides Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2,2-dimethyl-1-benzopyran - Chromone - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Aryl halide - Aryl bromide - Ketone - Ether - Oxacycle - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
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	7-bromo-2,2-dimethyl-3H-chromen-4-one
INCHI	InChI=1S/C11H11BrO2/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5H,6H2,1-2H3
InChIKey	QCVDUIIUXMKXQC-UHFFFAOYSA-N
Smiles	CC1(CC(=O)C2=C(O1)C=C(C=C2)Br)C
Isomeric SMILES	CC1(CC(=O)C2=C(O1)C=C(C=C2)Br)C
PubChem CID	14755365
Molecular Weight	255.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	255.110 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	253.994 Da
Monoisotopic Mass	253.994 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	250.000
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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