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30777-88-9 | 1H-Isoindole-1,3(2H)-dione, 2-[[3-(trifluoromethyl)phenyl]methoxy]-
CAS No: 30777-88-9 Catalog No: AG003193 MDL No:MFCD00139222
Product Description
Catalog Number:
AG003193
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[3-(trifluoromethyl)phenyl]methoxy]-
CAS Number:
30777-88-9
Molecular Formula:
C16H10F3NO3
Molecular Weight:
321.2507
MDL Number:
MFCD00139222
IUPAC Name:
2-[[3-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione
InChI:
InChI=1S/C16H10F3NO3/c17-16(18,19)11-5-3-4-10(8-11)9-23-20-14(21)12-6-1-2-7-13(12)15(20)22/h1-8H,9H2
InChI Key:
FECCBZQSGCSEQY-UHFFFAOYSA-N
SMILES:
O=C1N(OCc2cccc(c2)C(F)(F)F)C(=O)c2c1cccc2
NSC Number:
372538
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.061g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.255g/mol
Monoisotopic Mass:
321.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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