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2648-71-7 | 2-Butanone, 3-bromo-3-methyl-
CAS No: 2648-71-7 Catalog No: AG002TEE MDL No:MFCD06661470
Product Description
Catalog Number:
AG002TEE
Chemical Name:
2-Butanone, 3-bromo-3-methyl-
CAS Number:
2648-71-7
Molecular Formula:
C5H9BrO
Molecular Weight:
165.0284
MDL Number:
MFCD06661470
IUPAC Name:
3-bromo-3-methylbutan-2-one
InChI:
InChI=1S/C5H9BrO/c1-4(7)5(2,3)6/h1-3H3
InChI Key:
XHCWDDGZFBAXRT-UHFFFAOYSA-N
SMILES:
CC(=O)C(Br)(C)C
NSC Number:
402067
Properties
Complexity:
86.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.984g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.03g/mol
Monoisotopic Mass:
163.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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