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501433-14-3 | METHYL 2,6-DIFLUORO-3-IODOBENZOATE
CAS No: 501433-14-3 Catalog No: AG003RLZ MDL No:MFCD22573793
Product Description
Catalog Number:
AG003RLZ
Chemical Name:
METHYL 2,6-DIFLUORO-3-IODOBENZOATE
CAS Number:
501433-14-3
Molecular Formula:
C8H5F2IO2
Molecular Weight:
298.0254
MDL Number:
MFCD22573793
IUPAC Name:
methyl 2,6-difluoro-3-iodobenzoate
InChI:
InChI=1S/C8H5F2IO2/c1-13-8(12)6-4(9)2-3-5(11)7(6)10/h2-3H,1H3
InChI Key:
GNFWWJODIGADOC-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)ccc(c1F)I
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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