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127224-05-9 | Acetic acid, 2,2-difluoro-2-iodo-, 1-methylethyl ester
CAS No: 127224-05-9 Catalog No: AG000WSH MDL No:
Product Description
Catalog Number:
AG000WSH
Chemical Name:
Acetic acid, 2,2-difluoro-2-iodo-, 1-methylethyl ester
CAS Number:
127224-05-9
Molecular Formula:
C5H7F2IO2
Molecular Weight:
264.0092
IUPAC Name:
propan-2-yl 2,2-difluoro-2-iodoacetate
InChI:
InChI=1S/C5H7F2IO2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3
InChI Key:
USCJKAGGGHFJKF-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C(I)(F)F)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.946g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.01g/mol
Monoisotopic Mass:
263.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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