Methyl 5-nitro-2-phenoxybenzoate

CAT: 0127-OR322489Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

346704-90-3

MDL Number

MFCD14585398

Purity

=95%

Smiles

COC(=O)c1cc(ccc1Oc2ccccc2)[N+](=O)[O-]

Chemical Information

Methyl 5-nitro-2-phenoxybenzoate

CAS Number	346704-90-3
PubChem CID	23019067
IUPAC Name	methyl 5-nitro-2-phenoxybenzoate
Molecular Formula	C14H11NO5
Molecular Weight	273.24
XLogP	3.2
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	348

SMILES

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

InChI

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

InChIKey

VPTBROVHGPFOPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 346704-90-3

CID: 23019067

Formula: C14H11NO5

MW: 273.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.24
XLogP3	3.2
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	348
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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