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191221-33-7 | Propanoic acid, 2-bromo-3-(1,1-dimethylethoxy)-, (2S)-
CAS No: 191221-33-7 Catalog No: AG002F4U MDL No:
Product Description
Catalog Number:
AG002F4U
Chemical Name:
Propanoic acid, 2-bromo-3-(1,1-dimethylethoxy)-, (2S)-
CAS Number:
191221-33-7
Molecular Formula:
C7H13BrO3
Molecular Weight:
225.0803
IUPAC Name:
(2S)-2-bromo-3-[(2-methylpropan-2-yl)oxy]propanoic acid
InChI:
InChI=1S/C7H13BrO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4H2,1-3H3,(H,9,10)/t5-/m0/s1
InChI Key:
WXFZLOJEOVZVJM-YFKPBYRVSA-N
SMILES:
Br[C@H](C(=O)O)COC(C)(C)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.005g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.082g/mol
Monoisotopic Mass:
224.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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