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131549-75-2 | Ethanimidamide, N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxy-
CAS No: 131549-75-2 Catalog No: AG000ZEN MDL No:
Product Description
Catalog Number:
AG000ZEN
Chemical Name:
Ethanimidamide, N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxy-
CAS Number:
131549-75-2
Molecular Formula:
C12H14ClF3N2O
Molecular Weight:
294.7006
IUPAC Name:
N'-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyethanimidamide
InChI:
InChI=1S/C12H14ClF3N2O/c1-2-5-19-7-11(17)18-10-4-3-8(13)6-9(10)12(14,15)16/h3-4,6H,2,5,7H2,1H3,(H2,17,18)
InChI Key:
IUACFNXZIIQVDL-UHFFFAOYSA-N
SMILES:
CCCOCC(=N)Nc1ccc(cc1C(F)(F)F)Cl
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.702g/mol
Monoisotopic Mass:
294.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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