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142009-34-5 | Butanedioic acid, 2-bromo-3-(1,1-dimethylethyl)-, 1,4-diethyl ester
CAS No: 142009-34-5 Catalog No: AG001HJW MDL No:
Product Description
Catalog Number:
AG001HJW
Chemical Name:
Butanedioic acid, 2-bromo-3-(1,1-dimethylethyl)-, 1,4-diethyl ester
CAS Number:
142009-34-5
Molecular Formula:
C12H21BrO4
Molecular Weight:
309.1967
IUPAC Name:
diethyl 2-bromo-3-tert-butylbutanedioate
InChI:
InChI=1S/C12H21BrO4/c1-6-16-10(14)8(12(3,4)5)9(13)11(15)17-7-2/h8-9H,6-7H2,1-5H3
InChI Key:
DLFSKURHYHRYJV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C(C)(C)C)C(=O)OCC)Br
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.2g/mol
Monoisotopic Mass:
308.062g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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