CAS 2040-90-6 | Phenol, 2-chloro-6-fluoro- | CAS Number 2040-90-6

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2040-90-6 | Phenol, 2-chloro-6-fluoro-

CAS No: 2040-90-6 Catalog No: AG002992 MDL No:MFCD01631574

Product Description

Catalog Number:

AG002992

Chemical Name:

Phenol, 2-chloro-6-fluoro-

CAS Number:

2040-90-6

Molecular Formula:

C6H4ClFO

Molecular Weight:

146.5468

MDL Number:

MFCD01631574

IUPAC Name:

2-chloro-6-fluorophenol

InChI:

InChI=1S/C6H4ClFO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H

InChI Key:

QIAQIYQASAWZPP-UHFFFAOYSA-N

SMILES:

Oc1c(F)cccc1Cl

Properties

Complexity:

99.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

145.993g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

146.545g/mol

Monoisotopic Mass:

145.993g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Hydrogen-atom tunneling in isomerization around the C-O bond of 2-chloro-6-fluorophenol in low-temperature argon matrixes.	The journal of physical chemistry. A 20110908
Identification of medicinal off-flavours generated by Alicyclobacillus species in orange juice using GC-olfactometry and GC-MS.	Letters in applied microbiology 20050101
A community exposure to 2-chloro-6-fluorophenol.	Veterinary and human toxicology 20030201