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19961-40-1 | 2-Butanone, 4-bromo-3,3-dimethyl-
CAS No: 19961-40-1 Catalog No: AG002C8C MDL No:
Product Description
Catalog Number:
AG002C8C
Chemical Name:
2-Butanone, 4-bromo-3,3-dimethyl-
CAS Number:
19961-40-1
Molecular Formula:
C6H11BrO
Molecular Weight:
179.0549
IUPAC Name:
4-bromo-3,3-dimethylbutan-2-one
InChI:
InChI=1S/C6H11BrO/c1-5(8)6(2,3)4-7/h4H2,1-3H3
InChI Key:
FHULFQDWWYFFPZ-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)C)(C)C
Properties
Complexity:
96.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.999g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.057g/mol
Monoisotopic Mass:
177.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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