Naphthionate

CAT: 1299-RM-N301001-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N301001-02Size:25 mg

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CAS Number

6586-89-6

Synonyms

1,4-bis (chloromethyl) naphthalene

Molecular Formula

C12H10Cl2

Molecular Weight

225.11

Target Alternative Name

Naphthionate

Product Name Synonym

1,4-bis (chloromethyl) naphthalene

Chemical Information

Naphthalene, 1,4-bis(chloromethyl)-

CAS Number	6586-89-6
PubChem CID	23062
IUPAC Name	1,4-bis(chloromethyl)naphthalene
Molecular Formula	C12H10Cl2
Molecular Weight	225.11
XLogP	4.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	161

SMILES

C1=CC=C2C(=CC=C(C2=C1)CCl)CCl

InChI

InChI=1S/C12H10Cl2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H,7-8H2

InChIKey

PMIHHEJEQAQZET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6586-89-6

CID: 23062

Formula: C12H10Cl2

MW: 225.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.11
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	224.0159557
Monoisotopic Mass	224.0159557
Topological Polar Surface Area	0 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	161
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
RG-E140841-01	Methyl 6- ((4-guanidinobenzoyl) oxy) -2-naphthoate

Catalog	Name
220875	Sodium Naphthionate
02456 01000	Sodium Naphthionate 98% Extrapure