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3-Fluoroazepane Hydrochloride

CAT: 0926-HHC67915-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-HHC67915-01Size:100 mg
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CAS Number
1432679-15-6
MDL Number
MFCD24369185
Smiles
C1CCNCC (C1) F.Cl
Molecular Formula
C6H13ClFN
Molecular Weight
153.63 g/mol
Controlled
No

Chemical Information

3-Fluoroazepane hydrochloride
CAS Number1432679-15-6
PubChem CID71758276
IUPAC Name3-fluoroazepane;hydrochloride
Molecular FormulaC6H13ClFN
Molecular Weight153.62
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity65
SMILES
C1CCNCC(C1)F.Cl
InChI
InChI=1S/C6H12FN.ClH/c7-6-3-1-2-4-8-5-6;/h6,8H,1-5H2;1H
InChIKey
BXZOIGGEBUEIIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluoroazepane hydrochloride
CAS: 1432679-15-6
CID: 71758276
Formula: C6H13ClFN
MW: 153.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.62
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass153.0720553
Monoisotopic Mass153.0720553
Topological Polar Surface Area12 Ų
Heavy Atom Count9
Formal Charge0
Complexity65.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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