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13908-99-1 | Urea, N-nitroso-N,N'-bis(2,2,2-trifluoroethyl)-
CAS No: 13908-99-1 Catalog No: AG001A7M MDL No:
Product Description
Catalog Number:
AG001A7M
Chemical Name:
Urea, N-nitroso-N,N'-bis(2,2,2-trifluoroethyl)-
CAS Number:
13908-99-1
Molecular Formula:
C5H5F6N3O2
Molecular Weight:
253.1025
IUPAC Name:
1-nitroso-1,3-bis(2,2,2-trifluoroethyl)urea
InChI:
InChI=1S/C5H5F6N3O2/c6-4(7,8)1-12-3(15)14(13-16)2-5(9,10)11/h1-2H2,(H,12,15)
InChI Key:
FEZFRMCEKOVSHU-UHFFFAOYSA-N
SMILES:
O=NN(C(=O)NCC(F)(F)F)CC(F)(F)F
NSC Number:
91742
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.104g/mol
Monoisotopic Mass:
253.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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