200,000+ products from a single source!
sales@angenechem.com
84691-57-6 | Butanoic acid, 4-bromo-2,2-dimethyl-3-oxo-, methyl ester
CAS No: 84691-57-6 Catalog No: AG004ZS8 MDL No:MFCD16620955
Product Description
Catalog Number:
AG004ZS8
Chemical Name:
Butanoic acid, 4-bromo-2,2-dimethyl-3-oxo-, methyl ester
CAS Number:
84691-57-6
Molecular Formula:
C7H11BrO3
Molecular Weight:
223.0644
MDL Number:
MFCD16620955
IUPAC Name:
methyl 4-bromo-2,2-dimethyl-3-oxobutanoate
InChI:
InChI=1S/C7H11BrO3/c1-7(2,5(9)4-8)6(10)11-3/h4H2,1-3H3
InChI Key:
NPNKYOWEYMYAHO-UHFFFAOYSA-N
SMILES:
BrCC(=O)C(C(=O)OC)(C)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.989g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.066g/mol
Monoisotopic Mass:
221.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.