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1-bromo-2-methoxy-2-methylpropane

CAT: 0926-UAA75221-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-UAA75221-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19752-21-7
MDL Number
MFCD08063237
Smiles
CC (C) (CBr) OC
Molecular Formula
C5H11BrO
Molecular Weight
167.05 g/mol
Controlled
No

Chemical Information

1-Bromo-2-methoxy-2-methylpropane
CAS Number19752-21-7
PubChem CID10920893
IUPAC Name1-bromo-2-methoxy-2-methylpropane
Molecular FormulaC5H11BrO
Molecular Weight167.04
XLogP1.5
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity52
SMILES
CC(C)(CBr)OC
InChI
InChI=1S/C5H11BrO/c1-5(2,4-6)7-3/h4H2,1-3H3
InChIKey
NBLDQRVLOJJCCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-2-methoxy-2-methylpropane
CAS: 19752-21-7
CID: 10920893
Formula: C5H11BrO
MW: 167.04
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight167.04
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass165.99933
Monoisotopic Mass165.99933
Topological Polar Surface Area9.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity52
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