Home Halogens 4-tert-butyl 1-methyl 2-bromosuccinate

4-tert-butyl 1-methyl 2-bromosuccinate

CAS No.:
914224-29-6
Catalog Number:
AG01BRVC
Molecular Formula:
C9H15BrO4
Molecular Weight:
267.1170
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Product Description
Catalog Number:
AG01BRVC
Chemical Name:
4-tert-butyl 1-methyl 2-bromosuccinate
CAS Number:
914224-29-6
Molecular Formula:
C9H15BrO4
Molecular Weight:
267.1170
MDL Number:
MFCD09032890
IUPAC Name:
4-O-tert-butyl 1-O-methyl 2-bromobutanedioate
InChI:
InChI=1S/C9H15BrO4/c1-9(2,3)14-7(11)5-6(10)8(12)13-4/h6H,5H2,1-4H3
InChI Key:
RMYNMVDLUFHECX-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC(=O)OC(C)(C)C)Br
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.119g/mol
Monoisotopic Mass:
266.015g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties