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99953-33-0 | Methyl 3-bromo-2,2-difluoropropanoate
CAS No: 99953-33-0 Catalog No: AG01FDA7 MDL No:
Product Description
Catalog Number:
AG01FDA7
Chemical Name:
Methyl 3-bromo-2,2-difluoropropanoate
CAS Number:
99953-33-0
Molecular Formula:
C4H5BrF2O2
Molecular Weight:
202.9821
IUPAC Name:
methyl 3-bromo-2,2-difluoropropanoate
InChI:
InChI=1S/C4H5BrF2O2/c1-9-3(8)4(6,7)2-5/h2H2,1H3
InChI Key:
ZHPUJTGFHOCWAD-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)OC)(F)F
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.944g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.983g/mol
Monoisotopic Mass:
201.944g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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