VU 0365114

CAT: 0024-sc-475852Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-475852Size:10 mg

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CAS Number

1208222-39-2

Chemical Information

1-[(4-Phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione

1-[(4-phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione is a member of biphenyls.

CAS Number	1208222-39-2
PubChem CID	45281794
IUPAC Name	1-[(4-phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
Molecular Formula	C22H14F3NO3
Molecular Weight	397.3
XLogP	5.2
Topological Polar Surface Area	46.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	609

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C4=C(C=C(C=C4)OC(F)(F)F)C(=O)C3=O

InChI

InChI=1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2

InChIKey

SPBGRXOPAXZSER-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1208222-39-2

CID: 45281794

Formula: C22H14F3NO3

MW: 397.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	397.3
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	397.09257779
Monoisotopic Mass	397.09257779
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	609
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes