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19967-55-6 | 2-Butanone, 1-bromo-3-methyl-
CAS No: 19967-55-6 Catalog No: AG002CA1 MDL No:MFCD00015716
Product Description
Catalog Number:
AG002CA1
Chemical Name:
2-Butanone, 1-bromo-3-methyl-
CAS Number:
19967-55-6
Molecular Formula:
C5H9BrO
Molecular Weight:
165.0284
MDL Number:
MFCD00015716
IUPAC Name:
1-bromo-3-methylbutan-2-one
InChI:
InChI=1S/C5H9BrO/c1-4(2)5(7)3-6/h4H,3H2,1-2H3
InChI Key:
NNTPEAXKKUPBHQ-UHFFFAOYSA-N
SMILES:
BrCC(=O)C(C)C
Properties
Complexity:
68.5
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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