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1251156-33-8 | 2-(2-Methyl-4-nitro-phenoxy)-ethylamine
CAS No: 1251156-33-8 Catalog No: AG01FC9A MDL No:
Product Description
Catalog Number:
AG01FC9A
Chemical Name:
2-(2-Methyl-4-nitro-phenoxy)-ethylamine
CAS Number:
1251156-33-8
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
IUPAC Name:
2-(2-methyl-4-nitrophenoxy)ethanamine
InChI:
InChI=1S/C9H12N2O3/c1-7-6-8(11(12)13)2-3-9(7)14-5-4-10/h2-3,6H,4-5,10H2,1H3
InChI Key:
FMGUDUIGEJQZLX-UHFFFAOYSA-N
SMILES:
NCCOc1ccc(cc1C)[N+](=O)[O-]
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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