Methyl 4- (4-cyanophenoxy) benzoate

CAT: 0127-OR1056288-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1056288-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

201480-94-6

MDL Number

MFCD00187762

Purity

97%

Smiles

O=C(OC)C1=CC=C(OC2=CC=C(C#N)C=C2)C=C1

Chemical Information

Methyl 4-(4-cyanophenoxy)benzoate

CAS Number	201480-94-6
PubChem CID	765196
IUPAC Name	methyl 4-(4-cyanophenoxy)benzoate
Molecular Formula	C15H11NO3
Molecular Weight	253.25
XLogP	3.5
Topological Polar Surface Area	59.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	344

SMILES

COC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H11NO3/c1-18-15(17)12-4-8-14(9-5-12)19-13-6-2-11(10-16)3-7-13/h2-9H,1H3

InChIKey

ALQLCHDVYMZVJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 201480-94-6

CID: 765196

Formula: C15H11NO3

MW: 253.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	253.25
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	253.07389321
Monoisotopic Mass	253.07389321
Topological Polar Surface Area	59.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	344
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
OR1046733-01	Methyl 3- (4-cyanophenoxy) benzoate
OR952046-01	Methyl (4-cyanophenoxy) acetate
OR1031284-01	Tetrakis[ (4-cyanophenoxy) methyl]methane
OR1092470-01	Methyl 2- (4-cyanophenoxy) -2-methylpropanoate
OR1013824-01	Methyl 4- ((4-Formylphenoxy) Methyl) Benzoate
PC1021811-01	Methyl 4- ((4-fluorophenoxy) methyl) benzoate
OR25461	Methyl 4-[ (phenylthio) methyl]benzoate
OR92416-01	Methyl 4- (4-methoxybenzoyl) benzoate
OR72775	Methyl 4-[ (diethoxyphosphoryl) methyl]benzoate
OR323229	Methyl 4- ((diMethylamino) Methyl) benzoate

Catalog	Name
284292-01	Methyl 3- (4-Cyanophenoxy) Benzoate
TRC-M343678-500MG	Methyl 3-(4-Cyanophenoxy)benzoate
ZMA54487-01	Methyl 4-[ (4-nitrophenoxy) methyl]benzoate
sc-358332	Methyl 4-[ (methylthio) methyl]benzoate
sc-353927	Methyl 4-[ (chlorosulfonyl) methyl]benzoate
GRA47062-01	Methyl 4-[ (4-bromophenoxy) methyl]benzoate
sc-269503	Methyl 4-[ (4-formylphenoxy) methyl]benzoate
FDD55809-01	Methyl 4-[ (fluorosulfonyl) methyl]benzoate
TGA69941-01	Methyl 4-[ (hydroxyimino) methyl]benzoate
abx188776	Methyl 4-[(Chlorosulfonyl)Methyl]Benzoate