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9-Bromo-1-nonanol

CAT: 1266-JH920064Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH920064Size:1 Each
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CAS Number
55362-80-6
Molecular Formula
C9H19BrO
Molecular Weight
223.15

Chemical Information

1-Nonanol, 9-bromo-
CAS Number55362-80-6
PubChem CID108700
IUPAC Name9-bromononan-1-ol
Molecular FormulaC9H19BrO
Molecular Weight223.15
XLogP3.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Heavy Atom Count11
Formal Charge0
Complexity66
SMILES
C(CCCCO)CCCCBr
InChI
InChI=1S/C9H19BrO/c10-8-6-4-2-1-3-5-7-9-11/h11H,1-9H2
InChIKey
USJDOLXCPFASNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Nonanol, 9-bromo-
CAS: 55362-80-6
CID: 108700
Formula: C9H19BrO
MW: 223.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight223.15
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass222.06193
Monoisotopic Mass222.06193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity66.6
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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