Methyl 3- (4-cyanophenoxy) benzoate

CAT: 0127-OR1046733-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1046733-01Size:100 mg

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CAS Number

934690-54-7

MDL Number

MFCD11040483

Purity

95%

Smiles

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

Chemical Information

Methyl 3-(4-cyanophenoxy)benzoate

CAS Number	934690-54-7
PubChem CID	22564092
IUPAC Name	methyl 3-(4-cyanophenoxy)benzoate
Molecular Formula	C15H11NO3
Molecular Weight	253.25
XLogP	3
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	352

SMILES

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

InChI

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

InChIKey

JXLPEDHBTCUYLT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 934690-54-7

CID: 22564092

Formula: C15H11NO3

MW: 253.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	253.25
XLogP3	3
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	352
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
OR1056288-01	Methyl 4- (4-cyanophenoxy) benzoate
OR952046-01	Methyl (4-cyanophenoxy) acetate
OR1031284-01	Tetrakis[ (4-cyanophenoxy) methyl]methane
PC1008857-01	Methyl 4- ((3-fluorophenoxy) methyl) benzoate
OR1005491	Methyl 3-methyl-4- (methylamino) benzoate
OR1086110-01	Methyl 4-methyl-3- (methylthio) benzoate
PC48380-01	Methyl 4-methyl-3- (trifluoromethyl) benzoate
OR1082649-01	Methyl 3-methyl-4- (methylthio) benzoate
OR1003620-01	Methyl 3-[ (4-Formylphenoxy) methyl]benzoate
PC99982-01	Methyl 3-methyl-4- (trifluoromethyl) 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
GRA47062-01	Methyl 4-[ (4-bromophenoxy) methyl]benzoate
sc-269503	Methyl 4-[ (4-formylphenoxy) methyl]benzoate
sc-358332	Methyl 4-[ (methylthio) methyl]benzoate
sc-353927	Methyl 4-[ (chlorosulfonyl) methyl]benzoate
TGA69941-01	Methyl 4-[ (hydroxyimino) methyl]benzoate
abx188776	Methyl 4-[(Chlorosulfonyl)Methyl]Benzoate
FDD55809-01	Methyl 4-[ (fluorosulfonyl) methyl]benzoate