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305851-22-3 | Benzenemethanamine, 4-methoxy-N-(3-nitrophenyl)-
CAS No: 305851-22-3 Catalog No: AG0030M7 MDL No:MFCD00024365
Product Description
Catalog Number:
AG0030M7
Chemical Name:
Benzenemethanamine, 4-methoxy-N-(3-nitrophenyl)-
CAS Number:
305851-22-3
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
MDL Number:
MFCD00024365
IUPAC Name:
N-[(4-methoxyphenyl)methyl]-3-nitroaniline
InChI:
InChI=1S/C14H14N2O3/c1-19-14-7-5-11(6-8-14)10-15-12-3-2-4-13(9-12)16(17)18/h2-9,15H,10H2,1H3
InChI Key:
KEAKJFQOFXVQFJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Antifungal and cytotoxic activities of some N-substituted aniline derivatives bearing a hetaryl fragment. | Bioorganic & medicinal chemistry 20080115 |
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