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28509-46-8 | 2-Butanone, 4-bromo-
CAS No: 28509-46-8 Catalog No: AG002VKU MDL No:MFCD20483721
Product Description
Catalog Number:
AG002VKU
Chemical Name:
2-Butanone, 4-bromo-
CAS Number:
28509-46-8
Molecular Formula:
C4H7BrO
Molecular Weight:
151.0018
MDL Number:
MFCD20483721
IUPAC Name:
4-bromobutan-2-one
InChI:
InChI=1S/C4H7BrO/c1-4(6)2-3-5/h2-3H2,1H3
InChI Key:
HVVXCLMUSGOZNO-UHFFFAOYSA-N
SMILES:
CC(=O)CCBr
Properties
Complexity:
51.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.968g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.003g/mol
Monoisotopic Mass:
149.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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