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Home > Nitro Compounds > 832739-48-7
832739-48-7 | 3-(2,5-dimethylphenoxy)-5-nitroaniline
CAS No: 832739-48-7 Catalog No: AG00JE95 MDL No:MFCD03419566
Product Description
Catalog Number:
AG00JE95
Chemical Name:
3-(2,5-dimethylphenoxy)-5-nitroaniline
CAS Number:
832739-48-7
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
MDL Number:
MFCD03419566
IUPAC Name:
3-(2,5-dimethylphenoxy)-5-nitroaniline
InChI:
InChI=1S/C14H14N2O3/c1-9-3-4-10(2)14(5-9)19-13-7-11(15)6-12(8-13)16(17)18/h3-8H,15H2,1-2H3
InChI Key:
OBXVPNQBYLCEAA-UHFFFAOYSA-N
SMILES:
Nc1cc(Oc2cc(C)ccc2C)cc(c1)[N+](=O)[O-]
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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