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1261912-55-3 | [1,1'-Biphenyl]-3-carboxylic acid, 5-nitro-3'-(phenylmethoxy)-
CAS No: 1261912-55-3 Catalog No: AG000S54 MDL No:MFCD18322886
Product Description
Catalog Number:
AG000S54
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-nitro-3'-(phenylmethoxy)-
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
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.095g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.342g/mol
Monoisotopic Mass:
349.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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