Name: Name:3-(3-Benzyloxyphenyl)-5-nitrobenzoic acid
Brand: Angene
SKU: AG000S54
Rating: 90 (10 reviews)

3-(3-Benzyloxyphenyl)-5-nitrobenzoic acid

CAS No.:

1261912-55-3

Catalog Number:

AG000S54

Molecular Formula:

C20H15NO5

Molecular Weight:

349.3368

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Catalog Number:

AG000S54

Chemical Name:

3-(3-Benzyloxyphenyl)-5-nitrobenzoic acid

CAS Number:

1261912-55-3

Molecular Formula:

C20H15NO5

Molecular Weight:

349.3368

MDL Number:

MFCD18322886

IUPAC Name:

3-nitro-5-(3-phenylmethoxyphenyl)benzoic acid

InChI:

InChI=1S/C20H15NO5/c22-20(23)17-9-16(10-18(11-17)21(24)25)15-7-4-8-19(12-15)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23)

InChI Key:

VBYSQNKCQOGZNO-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1cccc(c1)OCc1ccccc1

Complexity:

485

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

349.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

349.342g/mol

Monoisotopic Mass:

349.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4