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1-Bromo-2-methoxy-4-methylpentane

CAT: 0926-JBD31426-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-JBD31426-01Size:50 mg
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CAS Number
1909314-26-6
MDL Number
MFCD29060329
Smiles
CC (C) CC (CBr) OC
Molecular Formula
C7H15BrO
Molecular Weight
195.1 g/mol
Controlled
No

Chemical Information

1-Bromo-2-methoxy-4-methylpentane
CAS Number1909314-26-6
PubChem CID121553384
IUPAC Name1-bromo-2-methoxy-4-methylpentane
Molecular FormulaC7H15BrO
Molecular Weight195.10
XLogP2.6
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity63
SMILES
CC(C)CC(CBr)OC
InChI
InChI=1S/C7H15BrO/c1-6(2)4-7(5-8)9-3/h6-7H,4-5H2,1-3H3
InChIKey
PPDDSJOHSDATBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-2-methoxy-4-methylpentane
CAS: 1909314-26-6
CID: 121553384
Formula: C7H15BrO
MW: 195.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.10
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass194.03063
Monoisotopic Mass194.03063
Topological Polar Surface Area9.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity63.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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