Vitamin K1 Impurity 23

CAT: 1596-AR-V06846-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06846-01Size:10 Units

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CAS Number

562836-92-4

Synonyms

1-chloro-3,7,11,15-tetramethylhexadecan-3-ol

Molecular Formula

C20H41ClO

Molecular Weight

333.00

API Name

Vitamin k1

Chemical Information

Vitamin K1 Impurity 21

CAS Number	562836-92-4
PubChem CID	154290722
IUPAC Name	1-chloro-3,7,11,15-tetramethylhexadecan-3-ol
Molecular Formula	C20H41ClO
Molecular Weight	333.0
XLogP	8.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	14
Heavy Atom Count	22
Formal Charge	0
Complexity	254

SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)(CCCl)O

InChI

InChI=1S/C20H41ClO/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5,22)15-16-21/h17-19,22H,6-16H2,1-5H3

InChIKey

HXYZTWGVBOKXID-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 562836-92-4

CID: 154290722

Formula: C20H41ClO

MW: 333.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	333.0
XLogP3	8.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	14
Exact Mass	332.2845936
Monoisotopic Mass	332.2845936
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	254
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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RM-V307946-01	Vitamin A Impurity 46
RM-V308661-01	Vitamin A Impurity 61
RM-V308660-01	Vitamin A Impurity 60
RM-V308659-01	Vitamin A Impurity 59
RM-V308658-01	Vitamin A Impurity 58
RM-V308656-01	Vitamin A Impurity 56