Vitamin K1 Impurity 206

CAT: 1299-RM-V317896-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-V317896-01Size:10 mg

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CAS Number

4444-13-7

Synonyms

(7R,11R, E) -1-bromo-3,7,11,15-tetramethylhexadec-2-ene

Molecular Formula

C20H39Br

Molecular Weight

359.44

Target Alternative Name

Vitamin K1

Product Name Synonym

(7R,11R, E) -1-bromo-3,7,11,15-tetramethylhexadec-2-ene

Chemical Information

trans-Phytyl Bromide

CAS Number	4444-13-7
PubChem CID	10498678
IUPAC Name	(E)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
Molecular Formula	C20H39Br
Molecular Weight	359.4
XLogP	9.6
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	13
Heavy Atom Count	21
Formal Charge	0
Complexity	255

SMILES

CC(C)CCCC(C)CCCC(C)CCC/C(=C/CBr)/C

InChI

InChI=1S/C20H39Br/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19H,6-14,16H2,1-5H3/b20-15+

InChIKey

KQYUEKLNYFZILD-HMMYKYKNSA-N

Chemical Structure

2D Structure

CAS: 4444-13-7

CID: 10498678

Formula: C20H39Br

MW: 359.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.4
XLogP3	9.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	13
Exact Mass	358.22351
Monoisotopic Mass	358.22351
Topological Polar Surface Area	0 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	255
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-V307777-01	Vitamin K1 Impurity 77; Vitamin K1 Impurity G
RM-V307823-01	Vitamin K1 Impurity 123
RM-V307751-01	Vitamin K1 Impurity 51
RM-V307791-01	Vitamin K1 Impurity 91
RM-V317890-01	Vitamin K1 Impurity 200
RM-V317885-01	Vitamin K1 Impurity 195
RM-V317878-01	Vitamin K1 Impurity 188
RM-V317874-01	Vitamin K1 Impurity 184
RM-V317880-01	Vitamin K1 Impurity 190
RM-V317879-01	Vitamin K1 Impurity 189

Catalog	Name
AR-V01550-01	Vitamin A Impurity C (retro-Vitamin A)
HY-Z1075	Vitamin impurity 2
468726	Vitamin D2 Impurity
GTR19280658-01	Vitamin impurity 4
GTR19280568-01	Vitamin impurity 3
AR-V01542-01	Vitamin B6 Impurity
AR-V06822-01	Vitamin K1 Impurity 14 (Vitamin K4)
HY-134760R	Vitamin impurity 3 (Standard)
CS-O-51259	Vitamin E Impurity 9
AR-V07171-01	Vitamin D3 Impurity 16