Triclosan Impurity 21

CAT: 1299-RG-T180330-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RG-T180330-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

546127-65-5

Synonyms

2-chloro-5- (2,4-dichlorophenoxy) benzene-1,4-diol

Molecular Formula

C12H7Cl3O3

Molecular Weight

305.54

Target Alternative Name

Triclosan

Product Name Synonym

2-chloro-5- (2,4-dichlorophenoxy) benzene-1,4-diol

Chemical Information

2-Chloro-5-(2,4-dichlorophenoxy)benzene-1,4-diol

CAS Number	546127-65-5
PubChem CID	85840590
IUPAC Name	2-chloro-5-(2,4-dichlorophenoxy)benzene-1,4-diol
Molecular Formula	C12H7Cl3O3
Molecular Weight	305.5
XLogP	4.6
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	279

SMILES

C1=CC(=C(C=C1Cl)Cl)OC2=C(C=C(C(=C2)O)Cl)O

InChI

InChI=1S/C12H7Cl3O3/c13-6-1-2-11(8(15)3-6)18-12-5-9(16)7(14)4-10(12)17/h1-5,16-17H

InChIKey

RLUNGJHVZZJUPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 546127-65-5

CID: 85840590

Formula: C12H7Cl3O3

MW: 305.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	305.5
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	303.946077
Monoisotopic Mass	303.946077
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	279
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