CAS 2976-74-1 | Acetic acid, 2-(2,3-dichlorophenoxy)- | CAS Number 2976-74-1

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2976-74-1 | Acetic acid, 2-(2,3-dichlorophenoxy)-

CAS No: 2976-74-1 Catalog No: AG002ZBQ MDL No:MFCD00004299

Product Description

Catalog Number:

AG002ZBQ

Chemical Name:

Acetic acid, 2-(2,3-dichlorophenoxy)-

CAS Number:

2976-74-1

Molecular Formula:

C8H6Cl2O3

Molecular Weight:

221.0374

MDL Number:

MFCD00004299

IUPAC Name:

2-(2,3-dichlorophenoxy)acetic acid

InChI:

InChI=1S/C8H6Cl2O3/c9-5-2-1-3-6(8(5)10)13-4-7(11)12/h1-3H,4H2,(H,11,12)

InChI Key:

RBJIGQRZLITQJG-UHFFFAOYSA-N

SMILES:

OC(=O)COc1cccc(c1Cl)Cl

EC Number:

221-022-9

NSC Number:

74462

Properties

Complexity:

186

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.969g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.033g/mol

Monoisotopic Mass:

219.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Pesticides in surface drinking-water supplies of the northern Great Plains.	Environmental health perspectives 20070801
CYP94A1, a plant cytochrome P450-catalyzing fatty acid omega-hydroxylase, is selectively induced by chemical stress in Vicia sativa seedlings.	Planta 20050801