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Home > Nitro Compounds > 99-59-2
99-59-2 | 2-Methoxy-5-nitroaniline
CAS No: 99-59-2 Catalog No: AG003GFQ MDL No:MFCD00007261
Product Description
Catalog Number:
AG003GFQ
Chemical Name:
2-Methoxy-5-nitroaniline
CAS Number:
99-59-2
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD00007261
IUPAC Name:
2-methoxy-5-nitroaniline
InChI:
InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3
InChI Key:
NIPDVSLAMPAWTP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N)[N+](=O)[O-]
EC Number:
202-770-5
UNII:
THY70UTM0O
NSC Number:
5510
UN Number:
2811
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Aerobic biotransformation of 2,4-dinitroanisole in soil and soil Bacillus sp. | Biodegradation 20120401 |
| Synthesis and antitumor activity of 5-(9-acridinylamino)anisidine derivatives. | Bioorganic & medicinal chemistry 20051201 |
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