Dabigatran Etexilate Impurity 58

CAT: 1299-RM-D020758-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D020758-01Size:10 mg

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CAS Number

58906-62-0

Synonyms

C7H13ClO2

Molecular Formula

C7H13ClO2

Molecular Weight

164.63

Target Alternative Name

Dabigatran

Product Name Synonym

C7H13ClO2

Chemical Information

Hexan-3-yl carbonochloridate

CAS Number	58906-62-0
PubChem CID	54555278
IUPAC Name	hexan-3-yl carbonochloridate
Molecular Formula	C7H13ClO2
Molecular Weight	164.63
XLogP	3.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	104

SMILES

CCCC(CC)OC(=O)Cl

InChI

InChI=1S/C7H13ClO2/c1-3-5-6(4-2)10-7(8)9/h6H,3-5H2,1-2H3

InChIKey

ZMSXSTNHWZHSLE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 58906-62-0

CID: 54555278

Formula: C7H13ClO2

MW: 164.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.63
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	164.0604073
Monoisotopic Mass	164.0604073
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	104
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-D020741-01	Dabigatran Etexilate Impurity 12
RM-D020816-01	Dabigatran Etexilate Impurity 116
RM-D020808-01	Dabigatran Etexilate Impurity 108
RM-D020830-01	Dabigatran Etexilate Impurity 130
RM-D020734-01	Dabigatran Etexilate Impurity 5
RM-D020730-01	Dabigatran Etexilate Impurity 1
RM-D020856-01	Dabigatran Etexilate Impurity 156
RM-D020855-01	Dabigatran Etexilate Impurity 155
RM-D020854-01	Dabigatran Etexilate Impurity 154
RM-D020753-01	Dabigatran Etexilate Impurity 23

Catalog	Name
AR-D01046-01	Dabigatran Etexilate Impurity 7
AR-D06206-01	Dabigatran Etexilate Impurity 9
AR-D01022-01	Dabigatran Etexilate Impurity 1
AR-D01047-01	Dabigatran Etexilate Impurity 8
AR-D01026-01	Dabigatran Etexilate Impurity 5
AR-D01023-01	Dabigatran Etexilate Impurity 2
AR-D01045-01	Dabigatran Etexilate Impurity 6
AR-D01024-01	Dabigatran Etexilate Impurity 3
OR1024660-01	Dabigatran Etexilate Impurity 73 Hydrochloride
CS-O-51184	N-Nitroso Dabigatran Etexilate Impurity 1