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Home > Nitro Compounds > 832739-93-2
832739-93-2 | 3-nitro-5-(2,3,5-trimethylphenoxy)aniline
CAS No: 832739-93-2 Catalog No: AG00JE94 MDL No:MFCD03419565
Product Description
Catalog Number:
AG00JE94
Chemical Name:
3-nitro-5-(2,3,5-trimethylphenoxy)aniline
CAS Number:
832739-93-2
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
MDL Number:
MFCD03419565
IUPAC Name:
3-nitro-5-(2,3,5-trimethylphenoxy)aniline
InChI:
InChI=1S/C15H16N2O3/c1-9-4-10(2)11(3)15(5-9)20-14-7-12(16)6-13(8-14)17(18)19/h4-8H,16H2,1-3H3
InChI Key:
XNUDMTLYVIMAQE-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)[N+](=O)[O-])Oc1cc(C)cc(c1C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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