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86209-44-1 | 2-Amino-4,6-bis(difluoromethoxy)pyrimidine
CAS No: 86209-44-1 Catalog No: AG004SQE MDL No:MFCD08669334
Product Description
Catalog Number:
AG004SQE
Chemical Name:
2-Amino-4,6-bis(difluoromethoxy)pyrimidine
CAS Number:
86209-44-1
Molecular Formula:
C6H5F4N3O2
Molecular Weight:
227.1164
MDL Number:
MFCD08669334
IUPAC Name:
4,6-bis(difluoromethoxy)pyrimidin-2-amine
InChI:
InChI=1S/C6H5F4N3O2/c7-4(8)14-2-1-3(15-5(9)10)13-6(11)12-2/h1,4-5H,(H2,11,12,13)
InChI Key:
DARNJZBBTBLNCA-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(OC(F)F)nc(n1)N)F
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.119g/mol
Monoisotopic Mass:
227.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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