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Home > Fluorides > 138968-31-7
138968-31-7 | Urea, (2,2,2-trifluoroethylidene)-, (Z)- (9CI)
CAS No: 138968-31-7 Catalog No: AG0019Y5 MDL No:
Product Description
Catalog Number:
AG0019Y5
Chemical Name:
Urea, (2,2,2-trifluoroethylidene)-, (Z)- (9CI)
CAS Number:
138968-31-7
Molecular Formula:
C3H3F3N2O
Molecular Weight:
140.0639
IUPAC Name:
2,2,2-trifluoroethylideneurea
InChI:
InChI=1S/C3H3F3N2O/c4-3(5,6)1-8-2(7)9/h1H,(H2,7,9)
InChI Key:
DAVGPBHOLYQJBM-UHFFFAOYSA-N
SMILES:
NC(=O)/N=C\C(F)(F)F
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.02g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.065g/mol
Monoisotopic Mass:
140.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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