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157415-07-1 | Propanoic acid, 2-bromo-2-fluoro-, methyl ester
CAS No: 157415-07-1 Catalog No: AG001PFJ MDL No:MFCD18074353
Product Description
Catalog Number:
AG001PFJ
Chemical Name:
Propanoic acid, 2-bromo-2-fluoro-, methyl ester
CAS Number:
157415-07-1
Molecular Formula:
C4H6BrFO2
Molecular Weight:
184.9916
MDL Number:
MFCD18074353
IUPAC Name:
methyl 2-bromo-2-fluoropropanoate
InChI:
InChI=1S/C4H6BrFO2/c1-4(5,6)3(7)8-2/h1-2H3
InChI Key:
IKRDKJVRFGHKNK-UHFFFAOYSA-N
SMILES:
COC(=O)C(Br)(F)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.954g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.992g/mol
Monoisotopic Mass:
183.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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