Canagliflozin Impurity 6

CAT: 1299-RM-C182532-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C182532-01Size:10 mg

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CAS Number

542-69-8

Synonyms

1-iodobutane

Molecular Formula

C4H9I

Molecular Weight

184.02

Target Alternative Name

Canagliflozin

Product Name Synonym

1-iodobutane

Chemical Information

Butyl iodide

butyl iodide has been reported in Ascophyllum nodosum, Mastocarpus stellatus, and other organisms with data available.

CAS Number	542-69-8
PubChem CID	10962
IUPAC Name	1-iodobutane
Molecular Formula	C4H9I
Molecular Weight	184.02
XLogP	3.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	5
Formal Charge	0
Complexity	13

SMILES

CCCCI

InChI

InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3

InChIKey

KMGBZBJJOKUPIA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 542-69-8

CID: 10962

Formula: C4H9I

MW: 184.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.02
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	183.97490
Monoisotopic Mass	183.97490
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	13.1
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
HY-I0684-01	Canagliflozin impurity 79
HY-I0543-01	Canagliflozin impurity 4
HY-I0542-01	Canagliflozin impurity 10
HY-I0535-01	Canagliflozin impurity 12
HY-I0525-01	Canagliflozin impurity 78
TRC-C175120-100MG	Canagliflozin Dimethoxy Impurity
GTR19280952-01	Canagliflozin impurity 77
GTR19280926-01	Canagliflozin impurity 14
GTR19280919-01	Canagliflozin impurity 15
GTR19280903-01	Canagliflozin impurity 1