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756-44-5 | DIETHYL 2-BROMO-2-FLUORO-MALONATE
CAS No: 756-44-5 Catalog No: AG005J1E MDL No:
Product Description
Catalog Number:
AG005J1E
Chemical Name:
DIETHYL 2-BROMO-2-FLUORO-MALONATE
CAS Number:
756-44-5
Molecular Formula:
C7H10BrFO4
Molecular Weight:
257.0543
IUPAC Name:
diethyl 2-bromo-2-fluoropropanedioate
InChI:
InChI=1S/C7H10BrFO4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3
InChI Key:
JTJBKDHWIRKUFY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(Br)F
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.975g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.055g/mol
Monoisotopic Mass:
255.975g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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