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Tri-tert-Butyl borate

CAT: 0127-OR1100128Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR1100128Size:100 g
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CAS Number
7397-43-5
MDL Number
MFCD00009652
Purity
98%
Smiles
CC (C) (C) OB (OC (C) (C) C) OC (C) (C) C

Chemical Information

Tri-tert-butyl borate
CAS Number7397-43-5
PubChem CID289737
IUPAC Nametritert-butyl borate
Molecular FormulaC12H27BO3
Molecular Weight230.15
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity170
SMILES
B(OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
InChI
InChI=1S/C12H27BO3/c1-10(2,3)14-13(15-11(4,5)6)16-12(7,8)9/h1-9H3
InChIKey
ZMCWFMOZBTXGKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tri-tert-butyl borate
CAS: 7397-43-5
CID: 289737
Formula: C12H27BO3
MW: 230.15
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.15
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass230.2053249
Monoisotopic Mass230.2053249
Topological Polar Surface Area27.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity170
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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