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5-Bromovaleronitrile

CAT: 0572-TRC-B699498-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B699498-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5414-21-1
Synonyms
5-Bromopentanenitrile; 1-Bromo-4-cyanobutane; 1-Cyano-4-bromobutane; 4-Cyanobutyl bromide; 5-Bromovaleronitrile; NSC 8032; delta-Bromovaleronitrile;
Hazard Statement
No Data Available
Smiles
BrCCCCC#N
Molecular Formula
C5H8BrN
Molecular Weight
162.03
Shipping Conditions
Room Temperature

Chemical Information

5-Bromopentanenitrile
CAS Number5414-21-1
PubChem CID79435
IUPAC Name5-bromopentanenitrile
Molecular FormulaC5H8BrN
Molecular Weight162.03
XLogP1.4
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity71
SMILES
C(CCBr)CC#N
InChI
InChI=1S/C5H8BrN/c6-4-2-1-3-5-7/h1-4H2
InChIKey
NWWWGAKVHCSAEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromopentanenitrile
CAS: 5414-21-1
CID: 79435
Formula: C5H8BrN
MW: 162.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.03
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass160.98401
Monoisotopic Mass160.98401
Topological Polar Surface Area23.8 Ų
Heavy Atom Count7
Formal Charge0
Complexity71.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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GTR19276440-015-Bromovaleronitrile
435908-015-​Bromovaleronitrile
B25340-015-Bromovaleronitrile 97%
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