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13908-00-4 | Urea, N-(2-chloroethyl)-N'-(2,2,2-trifluoroethyl)-
CAS No: 13908-00-4 Catalog No: AG001A5Q MDL No:
Product Description
Catalog Number:
AG001A5Q
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(2,2,2-trifluoroethyl)-
CAS Number:
13908-00-4
Molecular Formula:
C5H8ClF3N2O
Molecular Weight:
204.5780
IUPAC Name:
1-(2-chloroethyl)-3-(2,2,2-trifluoroethyl)urea
InChI:
InChI=1S/C5H8ClF3N2O/c6-1-2-10-4(12)11-3-5(7,8)9/h1-3H2,(H2,10,11,12)
InChI Key:
BXZXTELFZRVLKU-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)NCC(F)(F)F
NSC Number:
91734
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.028g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.577g/mol
Monoisotopic Mass:
204.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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