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29585-01-1 | 2-Pentanone, 3-bromo-4-methyl-
CAS No: 29585-01-1 Catalog No: AG002YTX MDL No:MFCD06661477
Product Description
Catalog Number:
AG002YTX
Chemical Name:
2-Pentanone, 3-bromo-4-methyl-
CAS Number:
29585-01-1
Molecular Formula:
C6H11BrO
Molecular Weight:
179.0549
MDL Number:
MFCD06661477
IUPAC Name:
3-bromo-4-methylpentan-2-one
InChI:
InChI=1S/C6H11BrO/c1-4(2)6(7)5(3)8/h4,6H,1-3H3
InChI Key:
KOYPMEVZVFOCDT-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)C)Br)C
Properties
Complexity:
88.5
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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