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16754-73-7 | Propanoic acid, 3-bromo-2-oxo-, 1,1-dimethylethyl ester
CAS No: 16754-73-7 Catalog No: AG001XGG MDL No:MFCD12756186
Product Description
Catalog Number:
AG001XGG
Chemical Name:
Propanoic acid, 3-bromo-2-oxo-, 1,1-dimethylethyl ester
CAS Number:
16754-73-7
Molecular Formula:
C7H11BrO3
Molecular Weight:
223.0644
MDL Number:
MFCD12756186
IUPAC Name:
tert-butyl 3-bromo-2-oxopropanoate
InChI:
InChI=1S/C7H11BrO3/c1-7(2,3)11-6(10)5(9)4-8/h4H2,1-3H3
InChI Key:
FLTKVDFSOLXYOD-UHFFFAOYSA-N
SMILES:
BrCC(=O)C(=O)OC(C)(C)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.989g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.066g/mol
Monoisotopic Mass:
221.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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