Methyl 3- (4-nitrophenoxy) benzoate

CAT: 0127-OR1063789Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1063789Size:250 mg

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CAS Number

212189-48-5

MDL Number

MFCD00416158

Purity

98%

Smiles

O=C(OC)C1=CC=CC(OC2=CC=C([N+]([O-])=O)C=C2)=C1

Chemical Information

Methyl 3-(4-nitrophenoxy)benzoate

CAS Number	212189-48-5
PubChem CID	2835754
IUPAC Name	methyl 3-(4-nitrophenoxy)benzoate
Molecular Formula	C14H11NO5
Molecular Weight	273.24
XLogP	3.4
Topological Polar Surface Area	81.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	346

SMILES

COC(=O)C1=CC(=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO5/c1-19-14(16)10-3-2-4-13(9-10)20-12-7-5-11(6-8-12)15(17)18/h2-9H,1H3

InChIKey

XLZUUZMFAKIMLB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 212189-48-5

CID: 2835754

Formula: C14H11NO5

MW: 273.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.24
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	273.06372245
Monoisotopic Mass	273.06372245
Topological Polar Surface Area	81.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	346
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
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PC1008857-01	Methyl 4- ((3-fluorophenoxy) methyl) 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
OR91974-01	Methyl 4-methyl-3- (methylsulfonyl) benzoate
OR1086110-01	Methyl 4-methyl-3- (methylthio) benzoate
PC48380-01	Methyl 4-methyl-3- (trifluoromethyl) benzoate

Catalog	Name
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
AJA92810-01	Methyl 4- (bromoethynyl) benzoate
FM31274	Methyl 4- (chlorocarbonyl) benzoate