Tecloftalam imide

CAT: 0926-BBA49130-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-BBA49130-02Size:25 mg

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CAS Number

26491-30-5

MDL Number

MFCD00467964

Smiles

C1=CC (=C (C (=C1) Cl) Cl) N2C (=O) C3=C (C2=O) C (=C (C (=C3Cl) Cl) Cl) Cl

Molecular Formula

C14H3Cl6NO2

Molecular Weight

429.9 g/mol

Controlled

Chemical Information

Tecloftalam Imide

CAS Number	26491-30-5
PubChem CID	1726629
IUPAC Name	4,5,6,7-tetrachloro-2-(2,3-dichlorophenyl)isoindole-1,3-dione
Molecular Formula	C14H3Cl6NO2
Molecular Weight	429.9
XLogP	6.2
Topological Polar Surface Area	37.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	487

SMILES

C1=CC(=C(C(=C1)Cl)Cl)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl

InChI

InChI=1S/C14H3Cl6NO2/c15-4-2-1-3-5(8(4)16)21-13(22)6-7(14(21)23)10(18)12(20)11(19)9(6)17/h1-3H

InChIKey

ZEUXEQLXCFSNPK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26491-30-5

CID: 1726629

Formula: C14H3Cl6NO2

MW: 429.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	429.9
XLogP3	6.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	428.826544
Monoisotopic Mass	426.829495
Topological Polar Surface Area	37.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	487
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

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