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1-Bromoheptane

CAT: 0572-TRC-B683890-50GSize: 50 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-B683890-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
629-04-9
Synonyms
1-Bromo-heptane; 1-Heptyl Bromide; Heptyl Bromide; NSC 7315; n-Heptyl Bromide
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Smiles
CCCCCCCBr
Molecular Formula
C7H15Br
Molecular Weight
179.1
Shipping Conditions
Room Temperature

Chemical Information

1-Bromoheptane
CAS Number629-04-9
PubChem CID12369
IUPAC Name1-bromoheptane
Molecular FormulaC7H15Br
Molecular Weight179.10
XLogP4.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Heavy Atom Count8
Formal Charge0
Complexity35
SMILES
CCCCCCCBr
InChI
InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey
LSXKDWGTSHCFPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromoheptane
CAS: 629-04-9
CID: 12369
Formula: C7H15Br
MW: 179.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.10
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Exact Mass178.03571
Monoisotopic Mass178.03571
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity35.4
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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