Fudosteine Impurity 39

CAT: 1299-RM-F225039-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F225039-01Size:10 mg

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CAS Number

629-36-7

Synonyms

1-chloro-3- (3-chloropropoxy) propane

Molecular Formula

C6H12Cl2O

Molecular Weight

171.06

Target Alternative Name

Fudosteine

Product Name Synonym

1-chloro-3- (3-chloropropoxy) propane

Chemical Information

Propane, 1,1'-oxybis(3-chloro-

CAS Number	629-36-7
PubChem CID	12383
IUPAC Name	1-chloro-3-(3-chloropropoxy)propane
Molecular Formula	C6H12Cl2O
Molecular Weight	171.06
XLogP	2
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Heavy Atom Count	9
Formal Charge	0
Complexity	44

SMILES

C(COCCCCl)CCl

InChI

InChI=1S/C6H12Cl2O/c7-3-1-5-9-6-2-4-8/h1-6H2

InChIKey

SMANNJALMIGASX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 629-36-7

CID: 12383

Formula: C6H12Cl2O

MW: 171.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.06
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	170.0265204
Monoisotopic Mass	170.0265204
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	44.3
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
RM-F225001-01	Fudosteine Impurity A; Fudosteine Sulfoxide
RM-F225021-01	Fudosteine Impurity 21 (S-Fudosteine)
RM-F225008-01	Fudosteine Impurity 8
RM-F225047-01	Fudosteine Impurity 47
RM-F225003-01	Fudosteine Impurity 3
RM-F225076-01	Fudosteine Impurity 76
RM-F225075-01	Fudosteine Impurity 75
RG-M200810-01	Fudosteine Impurity 42
RG-D031201-01	Fudosteine Impurity B
RM-F225065-01	Fudosteine Impurity 65