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116367-42-1 | Pyrimidine, 4,6-bis(difluoromethoxy)-2-isocyanato-
CAS No: 116367-42-1 Catalog No: AG000CAW MDL No:
Product Description
Catalog Number:
AG000CAW
Chemical Name:
Pyrimidine, 4,6-bis(difluoromethoxy)-2-isocyanato-
CAS Number:
116367-42-1
Molecular Formula:
C7H3F4N3O3
Molecular Weight:
253.1106
IUPAC Name:
4,6-bis(difluoromethoxy)-2-isocyanatopyrimidine
InChI:
InChI=1S/C7H3F4N3O3/c8-5(9)16-3-1-4(17-6(10)11)14-7(13-3)12-2-15/h1,5-6H
InChI Key:
UHIFJOSHLIXHKC-UHFFFAOYSA-N
SMILES:
O=C=Nc1nc(OC(F)F)cc(n1)OC(F)F
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.113g/mol
Monoisotopic Mass:
253.011g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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