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15960-79-9 | Propanedioic acid, 2-bromo-, 1,3-bis(1,1-dimethylethyl) ester
CAS No: 15960-79-9 Catalog No: AG001R82 MDL No:
Product Description
Catalog Number:
AG001R82
Chemical Name:
Propanedioic acid, 2-bromo-, 1,3-bis(1,1-dimethylethyl) ester
CAS Number:
15960-79-9
Molecular Formula:
C11H19BrO4
Molecular Weight:
295.1702
IUPAC Name:
ditert-butyl 2-bromopropanedioate
InChI:
InChI=1S/C11H19BrO4/c1-10(2,3)15-8(13)7(12)9(14)16-11(4,5)6/h7H,1-6H3
InChI Key:
MXQKZYBGLSKJNU-UHFFFAOYSA-N
SMILES:
BrC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.173g/mol
Monoisotopic Mass:
294.047g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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