Dichlorophen

CAT: 0127-BUP18295-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP18295-01Size:500 mg

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CAS Number

97-23-4

Synonyms

DDM, Dichlorophene

Purity

=98%

Smiles

Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O

Chemical Information

Dichlorophen

Dichlorophene can cause developmental toxicity according to The Environmental Protection Agency (EPA).

CAS Number	97-23-4
PubChem CID	3037
IUPAC Name	4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol
Molecular Formula	C13H10Cl2O2
Molecular Weight	269.12
XLogP	4.3
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	226

SMILES

C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O

InChI

InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2

InChIKey

MDNWOSOZYLHTCG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 97-23-4

CID: 3037

Formula: C13H10Cl2O2

MW: 269.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.12
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	268.0057849
Monoisotopic Mass	268.0057849
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	226
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
OR23716	(3,4-dichlorophenyl) [ (2,6-dichlorophenyl) methylene]ammoniumolate
OR6358	2,3-Dichlorophenol
OR17023	2,4-Dichlorophenol
OR0059-01	3,5-Dichlorophenol
OR0357-01	2,6-Dichlorophenol
OR0058-01	3,4-Dichlorophenol
OR480647	2,5-Dichlorophenol
OR1094017-01	(3,5-dichlorophenyl) trimethylsilane
OR28941-01	2,3-dichlorophenyl isocyanate
OR1086871-01	(2,6-Dichlorophenyl) trimethylsilane