Home Halogens methyl 4-bromo-2,2-dimethyl-3-oxopentanoate

methyl 4-bromo-2,2-dimethyl-3-oxopentanoate

CAS No.:
1392512-58-1
Catalog Number:
AG01BAUL
Molecular Formula:
C8H13BrO3
Molecular Weight:
237.0910
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Product Description
Catalog Number:
AG01BAUL
Chemical Name:
methyl 4-bromo-2,2-dimethyl-3-oxopentanoate
CAS Number:
1392512-58-1
Molecular Formula:
C8H13BrO3
Molecular Weight:
237.0910
MDL Number:
MFCD28505767
IUPAC Name:
methyl 4-bromo-2,2-dimethyl-3-oxopentanoate
InChI:
InChI=1S/C8H13BrO3/c1-5(9)6(10)8(2,3)7(11)12-4/h5H,1-4H3
InChI Key:
HYCVVIHRSINHDF-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)C(Br)C)(C)C
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.005g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.093g/mol
Monoisotopic Mass:
236.005g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties