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Home > Nitro Compounds > 832740-04-2
832740-04-2 | 3-(2-Methoxyphenoxy)-5-nitroaniline
CAS No: 832740-04-2 Catalog No: AG00JA7F MDL No:MFCD03419556
Product Description
Catalog Number:
AG00JA7F
Chemical Name:
3-(2-Methoxyphenoxy)-5-nitroaniline
CAS Number:
832740-04-2
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
MDL Number:
MFCD03419556
IUPAC Name:
3-(2-methoxyphenoxy)-5-nitroaniline
InChI:
InChI=1S/C13H12N2O4/c1-18-12-4-2-3-5-13(12)19-11-7-9(14)6-10(8-11)15(16)17/h2-8H,14H2,1H3
InChI Key:
XIJIMFTYDXLDED-UHFFFAOYSA-N
SMILES:
COc1ccccc1Oc1cc(N)cc(c1)[N+](=O)[O-]
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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