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2063-19-6 | 3-Butyn-2-ol, 4-bromo-2-methyl-
CAS No: 2063-19-6 Catalog No: AG002IFQ MDL No:
Product Description
Catalog Number:
AG002IFQ
Chemical Name:
3-Butyn-2-ol, 4-bromo-2-methyl-
CAS Number:
2063-19-6
Molecular Formula:
C5H7BrO
Molecular Weight:
163.0125
IUPAC Name:
4-bromo-2-methylbut-3-yn-2-ol
InChI:
InChI=1S/C5H7BrO/c1-5(2,7)3-4-6/h7H,1-2H3
InChI Key:
PCIPCEOKFBAUNM-UHFFFAOYSA-N
SMILES:
BrC#CC(O)(C)C
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.968g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.014g/mol
Monoisotopic Mass:
161.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthetic and structural studies on C-ethynyl- and C-bromo-carboranes. | Dalton transactions (Cambridge, England : 2003) 20060807 |
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