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1146963-51-0 | Acetic acid, 2,2,2-trifluoro-, 1-(2,4-dimethylphenyl)-2-[(3-methoxyphenyl)methylene]hydrazide
CAS No: 1146963-51-0 Catalog No: AG000F1U MDL No:MFCD25976644
Product Description
Catalog Number:
AG000F1U
Chemical Name:
Acetic acid, 2,2,2-trifluoro-, 1-(2,4-dimethylphenyl)-2-[(3-methoxyphenyl)methylene]hydrazide
CAS Number:
1146963-51-0
Molecular Formula:
C18H17F3N2O2
Molecular Weight:
350.3350
MDL Number:
MFCD25976644
IUPAC Name:
N-(2,4-dimethylphenyl)-2,2,2-trifluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
InChI:
InChI=1S/C18H17F3N2O2/c1-12-7-8-16(13(2)9-12)23(17(24)18(19,20)21)22-11-14-5-4-6-15(10-14)25-3/h4-11H,1-3H3/b22-11+
InChI Key:
HYMZAYGFKNNHDN-SSDVNMTOSA-N
SMILES:
COc1cccc(c1)C=NN(C(=O)C(F)(F)F)c1ccc(cc1C)C
UNII:
Z41H3C5BT9
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
350.124g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.341g/mol
Monoisotopic Mass:
350.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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