VU 0238429 25mg

CAT: 0628-A21519-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A21519-25Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1160247-92-6

Chemical Information

1-((4-Methoxyphenyl)methyl)-5-(trifluoromethoxy)-1H-indole-2,3-dione

CAS Number	1160247-92-6
PubChem CID	42633508
IUPAC Name	1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
Molecular Formula	C17H12F3NO4
Molecular Weight	351.28
XLogP	3.5
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	517

SMILES

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC(F)(F)F)C(=O)C2=O

InChI

InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3

InChIKey

CKLGZXFOLMHCMC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1160247-92-6

CID: 42633508

Formula: C17H12F3NO4

MW: 351.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.28
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	351.07184235
Monoisotopic Mass	351.07184235
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	517
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