Benzilide

CAT: 1596-AR-T03112-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T03112-02Size:25 Units

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CAS Number

467-32-3

Synonyms

3,3,6,6-tetraphenyl-1,4-dioxane-2,5-dione

Molecular Formula

C28H20O4

Molecular Weight

420.46

API Name

Trospium

Chemical Information

Benzilide

CAS Number	467-32-3
PubChem CID	345450
IUPAC Name	3,3,6,6-tetraphenyl-1,4-dioxane-2,5-dione
Molecular Formula	C28H20O4
Molecular Weight	420.5
XLogP	6.2
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	567

SMILES

C1=CC=C(C=C1)C2(C(=O)OC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H20O4/c29-25-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)31-26(30)28(32-25,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H

InChIKey

PNHGDMUCPUQOLI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 467-32-3

CID: 345450

Formula: C28H20O4

MW: 420.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	420.5
XLogP3	6.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	420.13615911
Monoisotopic Mass	420.13615911
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	567
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

Catalog	Name
AR-B06313-01	Benzamide
AR-B05675	Benzamide Oxime
AR-B06311-01	2-Ethoxy-Benzamide
AR-B06308-01	Benzamide Related Compound 2
AR-B06307-01	Benzamide Related Compound 1
AR-Z01213-01	N-Methyl-2- (phenylmethyl) benzamide
AR-R01772-01	Rivaroxaban O-Carboxy Benzamide Impurity
AR-T02394-01	5-Sulphamoyl-2-Methoxy benzamide
AR-D01358-01	2-methoxy-N- (2-methoxybenzoyl) benzamide
AR-B06309-01	4-Chloro-3,5-Dinitro-Benzamide

Catalog	Name
sc-503343	Benzilide