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25945-96-4 | Benzenamine, 4-nitro-2-(phenylmethoxy)-
CAS No: 25945-96-4 Catalog No: AG002R50 MDL No:MFCD00276800
Product Description
Catalog Number:
AG002R50
Chemical Name:
Benzenamine, 4-nitro-2-(phenylmethoxy)-
CAS Number:
25945-96-4
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD00276800
IUPAC Name:
4-nitro-2-phenylmethoxyaniline
InChI:
InChI=1S/C13H12N2O3/c14-12-7-6-11(15(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9,14H2
InChI Key:
OTBQGZCBYVALOL-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1OCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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