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1775-46-8 | Pentanoic acid, 3,5-dibromo-4-oxo-
CAS No: 1775-46-8 Catalog No: AG0025CY MDL No:MFCD00014023
Product Description
Catalog Number:
AG0025CY
Chemical Name:
Pentanoic acid, 3,5-dibromo-4-oxo-
CAS Number:
1775-46-8
Molecular Formula:
C5H6Br2O3
Molecular Weight:
273.9073
MDL Number:
MFCD00014023
IUPAC Name:
3,5-dibromo-4-oxopentanoic acid
InChI:
InChI=1S/C5H6Br2O3/c6-2-4(8)3(7)1-5(9)10/h3H,1-2H2,(H,9,10)
InChI Key:
WJBYRLPTCCHXFM-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(=O)CBr)Br
NSC Number:
24873
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.866g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.908g/mol
Monoisotopic Mass:
271.868g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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