12-Bromododecanenitrile

CAT: 0572-TRC-B686543-250MGSize: 250 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-B686543-250MGSize:250 mg

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CAS Number

54863-47-7

Hazard Statement

No Data Available

Smiles

BrCCCCCCCCCCCC#N

Molecular Formula

C12H22BrN

Molecular Weight

260.21

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

12-Bromododecanenitrile

CAS Number	54863-47-7
PubChem CID	13111850
IUPAC Name	12-bromododecanenitrile
Molecular Formula	C12H22BrN
Molecular Weight	260.21
XLogP	5
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Heavy Atom Count	14
Formal Charge	0
Complexity	148

SMILES

C(CCCCCC#N)CCCCCBr

InChI

InChI=1S/C12H22BrN/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-11H2

InChIKey

REWUNQPQBYXSQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54863-47-7

CID: 13111850

Formula: C12H22BrN

MW: 260.21

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	260.21
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Exact Mass	259.09356
Monoisotopic Mass	259.09356
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	148
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

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TRC-H714624-2.5MG	Cortisol-9,12,12-d3
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TRC-F102432-5MG	(E,E)-Farnesol 11,11,11,12,12,12-d6
TRC-F102432-10MG	(E,E)-Farnesol 11,11,11,12,12,12-d6

Alternative Products

Catalog	Name
411912-01	12-Bromododecanenitrile
1612661	A-12, adapter for 12
TGA70396-01	12,12,12-Trifluorododecane-1-thiol
MBS393774-01	Dodecanoic-12,12,12-D3 Acid
216666	Interleukin 12 (Interleukin-12, IL-12)
PC106514	12,12,12-Trifluorododecan-1-ol
A3000-90A	Aquaporin 12 (Aquaporin-12, AQP-12, AQP12)
UL12012Gel	UltraPAGE 12% 12 Wells
ET12412Gel	FuturePAGETM4-12% 12 Wells
AGA22621-01	12-Deoxo-12α-acetoxyelliptone

12-Bromododecanenitrile

Chemical Information

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