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133149-09-4 | methyl (2S)-2-bromo-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
CAS No: 133149-09-4 Catalog No: AG01ELYH MDL No:MFCD31589544
Product Description
Catalog Number:
AG01ELYH
Chemical Name:
methyl (2S)-2-bromo-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
CAS Number:
133149-09-4
Molecular Formula:
C8H13BrO4
Molecular Weight:
253.0904
MDL Number:
MFCD31589544
IUPAC Name:
methyl (2S)-2-bromo-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
InChI:
InChI=1S/C8H13BrO4/c1-8(2)12-4-5(13-8)6(9)7(10)11-3/h5-6H,4H2,1-3H3/t5-,6-/m0/s1
InChI Key:
BVSBOVWTJOHGIM-WDSKDSINSA-N
SMILES:
COC(=O)[C@H]([C@@H]1COC(O1)(C)C)Br
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
252g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.092g/mol
Monoisotopic Mass:
252g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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