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8-Bromooctanoic Acid

CAT: 0572-TRC-B686268-100GSize: 100 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-B686268-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17696-11-6
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3261; Packing Group: II
Smiles
OC(=O)CCCCCCCBr
Molecular Formula
C8 H15 Br O2
Molecular Weight
223.11
InChI
InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)
Additionnal Information
IUPAC name: 8-bromooctanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

8-Bromooctanoic acid
CAS Number17696-11-6
PubChem CID548275
IUPAC Name8-bromooctanoic acid
Molecular FormulaC8H15BrO2
Molecular Weight223.11
XLogP1.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count11
Formal Charge0
Complexity104
SMILES
C(CCCC(=O)O)CCCBr
InChI
InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)
InChIKey
BKJFDZSBZWHRNH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Bromooctanoic acid
CAS: 17696-11-6
CID: 548275
Formula: C8H15BrO2
MW: 223.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.11
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass222.02554
Monoisotopic Mass222.02554
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity104
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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