Undecyl 6-Bromohexanoate

CAT: 1596-AR-U01248-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-U01248-01Size:10 Units

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CAS Number

959040-06-3

Molecular Formula

C17H33BrO2

Molecular Weight

349.35

API Name

Undecylenic acid

Chemical Information

Undecyl 6-bromohexanoate

CAS Number	959040-06-3
PubChem CID	550522
IUPAC Name	undecyl 6-bromohexanoate
Molecular Formula	C17H33BrO2
Molecular Weight	349.3
XLogP	6.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Heavy Atom Count	20
Formal Charge	0
Complexity	207

SMILES

CCCCCCCCCCCOC(=O)CCCCCBr

InChI

InChI=1S/C17H33BrO2/c1-2-3-4-5-6-7-8-9-13-16-20-17(19)14-11-10-12-15-18/h2-16H2,1H3

InChIKey

PSMKUXWNSBWYBS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 959040-06-3

CID: 550522

Formula: C17H33BrO2

MW: 349.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.3
XLogP3	6.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	348.16639
Monoisotopic Mass	348.16639
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	207
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
AR-O22950-01	(S) -3-Hexyl-5,6-dihydro-6-undecyl-2H-pyran-2-one
AR-C05989-01	Ethyl 6-Bromoheptanoate
AR-H07545-01	Hexanoic Acid-6,6,6-d3
AR-N08977-01	Nylon 6,6 Monomer
AR-S10915-01	6'-Chloro-6'-Deoxysucrose
AR-N08978-01	Nylon 6,6 Dimer
AR-N08979-01	Nylon 6,6 Trimer
AR-E02179-01	6'-Desmethyl-6'-methylhydroxy Etoricoxib
AR-C04005-01	6-Chloro-6-Defluoro Ciprofloxacin
AR-N08982-01	Nylon 6,6 Impurity 3

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