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Home > Nitro Compounds > 3048-12-2
3048-12-2 | 1-nitro-4-(phenoxymethyl)benzene
CAS No: 3048-12-2 Catalog No: AG019OW1 MDL No:MFCD00024778
Product Description
Catalog Number:
AG019OW1
Chemical Name:
1-nitro-4-(phenoxymethyl)benzene
CAS Number:
3048-12-2
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD00024778
IUPAC Name:
1-nitro-4-(phenoxymethyl)benzene
InChI:
InChI=1S/C13H11NO3/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2
InChI Key:
BKSDFYLOSRTHTL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)COc1ccccc1
NSC Number:
263498
Properties
Complexity:
238
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:
3.6
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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