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23120-56-1 | 2-Pentanone, 3-bromo-5-hydroxy-
CAS No: 23120-56-1 Catalog No: AG002M8F MDL No:
Product Description
Catalog Number:
AG002M8F
Chemical Name:
2-Pentanone, 3-bromo-5-hydroxy-
CAS Number:
23120-56-1
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
IUPAC Name:
3-bromo-5-hydroxypentan-2-one
InChI:
InChI=1S/C5H9BrO2/c1-4(8)5(6)2-3-7/h5,7H,2-3H2,1H3
InChI Key:
HAYXIXUFHBJTBC-UHFFFAOYSA-N
SMILES:
CC(=O)C(CCO)Br
Properties
Complexity:
82.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.979g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.029g/mol
Monoisotopic Mass:
179.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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