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1640342-92-2 | Methyl 4,5-difluoro-2-iodobenzoate
CAS No: 1640342-92-2 Catalog No: AG01FE8S MDL No:MFCD22490596
Product Description
Catalog Number:
AG01FE8S
Chemical Name:
Methyl 4,5-difluoro-2-iodobenzoate
CAS Number:
1640342-92-2
Molecular Formula:
C8H5F2IO2
Molecular Weight:
298.0254
MDL Number:
MFCD22490596
IUPAC Name:
methyl 4,5-difluoro-2-iodobenzoate
InChI:
InChI=1S/C8H5F2IO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,1H3
InChI Key:
CSJGCNLTOKGTGI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(cc1I)F
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.93g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.027g/mol
Monoisotopic Mass:
297.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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