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71151-43-4 | 1-Butyne, 1-bromo-3-methoxy-3-methyl-
CAS No: 71151-43-4 Catalog No: AG005KP8 MDL No:
Product Description
Catalog Number:
AG005KP8
Chemical Name:
1-Butyne, 1-bromo-3-methoxy-3-methyl-
CAS Number:
71151-43-4
Molecular Formula:
C6H9BrO
Molecular Weight:
177.0391
IUPAC Name:
1-bromo-3-methoxy-3-methylbut-1-yne
InChI:
InChI=1S/C6H9BrO/c1-6(2,8-3)4-5-7/h1-3H3
InChI Key:
GMYBSGIHQYOVKW-UHFFFAOYSA-N
SMILES:
COC(C#CBr)(C)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.984g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.041g/mol
Monoisotopic Mass:
175.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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