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332157-62-7 | 2-Benzotriazol-1-yl-N-(2-trifluoromethyl-phenyl)-acetamide
CAS No: 332157-62-7 Catalog No: AG01EV5T MDL No:
Product Description
Catalog Number:
AG01EV5T
Chemical Name:
2-Benzotriazol-1-yl-N-(2-trifluoromethyl-phenyl)-acetamide
CAS Number:
332157-62-7
Molecular Formula:
C15H11F3N4O
Molecular Weight:
320.2692
IUPAC Name:
2-(benzotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C15H11F3N4O/c16-15(17,18)10-5-1-2-6-11(10)19-14(23)9-22-13-8-4-3-7-12(13)20-21-22/h1-8H,9H2,(H,19,23)
InChI Key:
URVFGBQJJFBUSB-UHFFFAOYSA-N
SMILES:
O=C(Cn1nnc2c1cccc2)Nc1ccccc1C(F)(F)F
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.275g/mol
Monoisotopic Mass:
320.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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