Diethyl 4,4'-azodibenzoate

CAT: 0127-OR1068339-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1068339-01Size:100 mg

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CAS Number

7250-68-2

MDL Number

MFCD00096305

Purity

98%

Smiles

CCOC(C1=CC=C(/N=N/C2=CC=C(C(OCC)=O)C=C2)C=C1)=O

Chemical Information

1,1'-Diethyl 4,4'-(1,2-diazenediyl)bis(benzoate)

CAS Number	7250-68-2
PubChem CID	232541
IUPAC Name	ethyl 4-[(4-ethoxycarbonylphenyl)diazenyl]benzoate
Molecular Formula	C18H18N2O4
Molecular Weight	326.3
XLogP	4.1
Topological Polar Surface Area	77.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	24
Formal Charge	0
Complexity	396

SMILES

CCOC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H18N2O4/c1-3-23-17(21)13-5-9-15(10-6-13)19-20-16-11-7-14(8-12-16)18(22)24-4-2/h5-12H,3-4H2,1-2H3

InChIKey

YFFNOBALALSBCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7250-68-2

CID: 232541

Formula: C18H18N2O4

MW: 326.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.3
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	326.12665706
Monoisotopic Mass	326.12665706
Topological Polar Surface Area	77.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	396
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
OR1026896-01	Diethyl 4,4'-Biphenyldicarboxylate
OR74141-01	Diethyl 4-bromobenzylphosphonate
PC49686	Diethyl-4-fluoroheptanedioate
OR111375	Diethyl 4-bromophenylmalonate
OR322900	Diethyl 4-aminoheptanedioate
OR10696	Diethyl 4-carboxyphenylphosphonate
OR322930	Diethyl 4-bromobutylphosphonate
OR1026030-01	Diethyl Azoxybenzene-4,4'-Dicarboxylate
OR1077906	Diethyl 1,4-Phenylenediacrylate
OR1077905	4-Chlorobenzaldehyde Diethyl Acetal

Catalog	Name
sc-460909	Diethyl 4,4'-Azodibenzoate
FD62601-01	Diethyl 4,4'-Biphenyldicarboxylate
sc-326803	Diethyl 4,4-difluoroheptanedioate
D21107	Diethyl-4,4-azoxydibenzoate
D3551	Diethyl 4-Ethoxyphenylethylmalonate
272151-01	Diethyl 4-ethoxyphenylmalonate
446803-01	Diethyl 4-Aminobenzylphosphonate
sc-337665	Diethyl 4-acetylphenylphosphonate
TRC-D476623-250MG	Diethyl 4-oxopimelate
sc-326802	Diethyl 4-fluoroheptanedioate