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88961-01-7 | Benzamide, 4-[3-[2-[3-(trifluoromethyl)phenyl]-1-aziridinyl]propyl]-
CAS No: 88961-01-7 Catalog No: AG0047JS MDL No:
Product Description
Catalog Number:
AG0047JS
Chemical Name:
Benzamide, 4-[3-[2-[3-(trifluoromethyl)phenyl]-1-aziridinyl]propyl]-
CAS Number:
88961-01-7
Molecular Formula:
C19H19F3N2O
Molecular Weight:
348.3622
IUPAC Name:
4-[3-[2-[3-(trifluoromethyl)phenyl]aziridin-1-yl]propyl]benzamide
InChI:
InChI=1S/C19H19F3N2O/c20-19(21,22)16-5-1-4-15(11-16)17-12-24(17)10-2-3-13-6-8-14(9-7-13)18(23)25/h1,4-9,11,17H,2-3,10,12H2,(H2,23,25)
InChI Key:
APDCQCKLJUVOGQ-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1)CCCN1CC1c1cccc(c1)C(F)(F)F
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.145g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.369g/mol
Monoisotopic Mass:
348.145g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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