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191354-46-8 | Butanoyl chloride, 3-(acetyloxy)-4-bromo-, (3S)-
CAS No: 191354-46-8 Catalog No: AG002F6T MDL No:
Product Description
Catalog Number:
AG002F6T
Chemical Name:
Butanoyl chloride, 3-(acetyloxy)-4-bromo-, (3S)-
CAS Number:
191354-46-8
Molecular Formula:
C6H8BrClO3
Molecular Weight:
243.4829
IUPAC Name:
[(2S)-1-bromo-4-chloro-4-oxobutan-2-yl] acetate
InChI:
InChI=1S/C6H8BrClO3/c1-4(9)11-5(3-7)2-6(8)10/h5H,2-3H2,1H3/t5-/m0/s1
InChI Key:
PVBDITHCXIJZPQ-YFKPBYRVSA-N
SMILES:
BrC[C@@H](OC(=O)C)CC(=O)Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
241.935g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.481g/mol
Monoisotopic Mass:
241.935g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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