Home Halogens methyl 4-bromo-2,2-diethyl-3-oxobutanoate

methyl 4-bromo-2,2-diethyl-3-oxobutanoate

CAS No.:
1803586-14-2
Catalog Number:
AG01BABH
Molecular Formula:
C9H15BrO3
Molecular Weight:
251.1176
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Product Description
Catalog Number:
AG01BABH
Chemical Name:
methyl 4-bromo-2,2-diethyl-3-oxobutanoate
CAS Number:
1803586-14-2
Molecular Formula:
C9H15BrO3
Molecular Weight:
251.1176
MDL Number:
MFCD28397589
IUPAC Name:
methyl 4-bromo-2,2-diethyl-3-oxobutanoate
InChI:
InChI=1S/C9H15BrO3/c1-4-9(5-2,7(11)6-10)8(12)13-3/h4-6H2,1-3H3
InChI Key:
PLLDMXRMGKDOCK-UHFFFAOYSA-N
SMILES:
BrCC(=O)C(C(=O)OC)(CC)CC
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.12g/mol
Monoisotopic Mass:
250.02g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties