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189099-05-6 | Butanoic acid, 4-bromo-4-fluoro-3-oxo-, methyl ester
CAS No: 189099-05-6 Catalog No: AG002HV6 MDL No:
Product Description
Catalog Number:
AG002HV6
Chemical Name:
Butanoic acid, 4-bromo-4-fluoro-3-oxo-, methyl ester
CAS Number:
189099-05-6
Molecular Formula:
C5H6BrFO3
Molecular Weight:
213.0017
IUPAC Name:
methyl 4-bromo-4-fluoro-3-oxobutanoate
InChI:
InChI=1S/C5H6BrFO3/c1-10-4(9)2-3(8)5(6)7/h5H,2H2,1H3
InChI Key:
QBHSWGKPLUAGPV-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)C(Br)F
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.948g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.002g/mol
Monoisotopic Mass:
211.948g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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