Pentachloroanisole

CAT: 0024-sc-257972Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-257972Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1825-21-4

Chemical Information

Pentachloroanisole

Pentachloroanisole is an anisole.

CAS Number	1825-21-4
PubChem CID	15767
IUPAC Name	1,2,3,4,5-pentachloro-6-methoxybenzene
Molecular Formula	C7H3Cl5O
Molecular Weight	280.4
XLogP	5.4
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	162

SMILES

COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3

InChIKey

BBABSCYTNHOKOG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1825-21-4

CID: 15767

Formula: C7H3Cl5O

MW: 280.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.4
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	279.859703
Monoisotopic Mass	277.862653
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	162
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
S-2930	23456-Pentachloroanisole - 1ML
CS-C-02018	Pentachloroanisole-d3 (methoxy-d3)
TRC-P237910-1G	2,3,4,5,6-Pentachloroanisole