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Home > Nitro Compounds > 4560-41-2
4560-41-2 | 1-(Benzyloxy);-2-nitrobenzene
CAS No: 4560-41-2 Catalog No: AG003E0H MDL No:MFCD00143680
Product Description
Catalog Number:
AG003E0H
Chemical Name:
1-(Benzyloxy);-2-nitrobenzene
CAS Number:
4560-41-2
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD00143680
IUPAC Name:
1-nitro-2-phenylmethoxybenzene
InChI:
InChI=1S/C13H11NO3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
ZYWSXGRMDPBISP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1OCc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Anti human immunodeficiency virus-1 (HIV-1) agents 1. Discovery of benzyl phenyl ethers as new HIV-1 inhibitors in vitro. | Chemical & pharmaceutical bulletin 20090101 |
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