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113966-06-6

113966-06-6 | Acetic acid, 2-fluoro-, 2,2-dibromoethenyl ester

CAS No: 113966-06-6 Catalog No: AG000A6G MDL No:

Product Description

Catalog Number:
AG000A6G
Chemical Name:
Acetic acid, 2-fluoro-, 2,2-dibromoethenyl ester
CAS Number:
113966-06-6
Molecular Formula:
C4H3Br2FO2
Molecular Weight:
261.8718
IUPAC Name:
2,2-dibromoethenyl 2-fluoroacetate
InChI:
InChI=1S/C4H3Br2FO2/c5-3(6)2-9-4(8)1-7/h2H,1H2
InChI Key:
CNHBALIDMSMYPM-UHFFFAOYSA-N
SMILES:
FCC(=O)OC=C(Br)Br

Properties

Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.846g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.872g/mol
Monoisotopic Mass:
259.848g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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