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Home > Fluorides > 1033201-49-8
1033201-49-8 | tert-Butyl 2-fluoro-4-iodophenyl(2-fluoro-4-iodophenylcarbamoyl);carbamate
CAS No: 1033201-49-8 Catalog No: AG003UHR MDL No:MFCD10699602
Product Description
Catalog Number:
AG003UHR
Chemical Name:
tert-Butyl 2-fluoro-4-iodophenyl(2-fluoro-4-iodophenylcarbamoyl);carbamate
CAS Number:
1033201-49-8
Molecular Formula:
C18H16F2I2N2O3
Molecular Weight:
600.1370
MDL Number:
MFCD10699602
IUPAC Name:
tert-butyl N-(2-fluoro-4-iodophenyl)-N-[(2-fluoro-4-iodophenyl)carbamoyl]carbamate
InChI:
InChI=1S/C18H16F2I2N2O3/c1-18(2,3)27-17(26)24(15-7-5-11(22)9-13(15)20)16(25)23-14-6-4-10(21)8-12(14)19/h4-9H,1-3H3,(H,23,25)
InChI Key:
FPIRUJSVYUOTEK-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)F)NC(=O)N(c1ccc(cc1F)I)C(=O)OC(C)(C)C
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
599.922g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
600.143g/mol
Monoisotopic Mass:
599.922g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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