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Home > Fluorides > 1418273-40-1
1418273-40-1 | 4-Difluoromethoxy-5-iodo-2-methyl-benzoic acid methyl ester
CAS No: 1418273-40-1 Catalog No: AG01F6X9 MDL No:
Product Description
Catalog Number:
AG01F6X9
Chemical Name:
4-Difluoromethoxy-5-iodo-2-methyl-benzoic acid methyl ester
CAS Number:
1418273-40-1
Molecular Formula:
C10H9F2IO3
Molecular Weight:
342.0779
IUPAC Name:
methyl 4-(difluoromethoxy)-5-iodo-2-methylbenzoate
InChI:
InChI=1S/C10H9F2IO3/c1-5-3-8(16-10(11)12)7(13)4-6(5)9(14)15-2/h3-4,10H,1-2H3
InChI Key:
YYWUUZCRQUHODR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(I)c(cc1C)OC(F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.956g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.08g/mol
Monoisotopic Mass:
341.956g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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