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480391-18-2 | Benzaldehyde, 4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-
CAS No: 480391-18-2 Catalog No: AG006Y4N MDL No:
Product Description
Catalog Number:
AG006Y4N
Chemical Name:
Benzaldehyde, 4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-
CAS Number:
480391-18-2
Molecular Formula:
C16H9F3N2O2
Molecular Weight:
318.2501
IUPAC Name:
4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde
InChI:
InChI=1S/C16H9F3N2O2/c17-16(18,19)13-7-5-12(6-8-13)15-20-14(21-23-15)11-3-1-10(9-22)2-4-11/h1-9H
InChI Key:
GZCOXOGMCZZRQY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1noc(n1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.062g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.255g/mol
Monoisotopic Mass:
318.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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