CAS 6640-27-3 | 2-Chloro-4-methylphenol | CAS Number 6640-27-3

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6640-27-3 | 2-Chloro-4-methylphenol

CAS No: 6640-27-3 Catalog No: AG003381 MDL No:MFCD00070639

Product Description

Catalog Number:

AG003381

Chemical Name:

2-Chloro-4-methylphenol

CAS Number:

6640-27-3

Molecular Formula:

C7H7ClO

Molecular Weight:

142.5829

MDL Number:

MFCD00070639

IUPAC Name:

2-chloro-4-methylphenol

InChI:

InChI=1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3

InChI Key:

AQJFATAFTQCRGC-UHFFFAOYSA-N

SMILES:

Cc1ccc(c(c1)Cl)O

EC Number:

229-656-8

UNII:

1J012K1LJC

NSC Number:

48848

Properties

Complexity:

94.9

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

142.019g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

142.582g/mol

Monoisotopic Mass:

142.019g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
N-Benzyl-2-(2-chloro-4-methyl-phen-oxy)acetamide.	Acta crystallographica. Section E, Structure reports online 20080801
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	Journal of molecular graphics & modelling 20061101
Metabolism of 2-chloro-4-methylphenoxyacetate by Alcaligenes eutrophus JMP 134.	Archives of microbiology 19930101