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Home > Nitro Compounds > 616-86-4
616-86-4 | 4-Ethoxy-2-nitroaniline
CAS No: 616-86-4 Catalog No: AG003LB1 MDL No:MFCD00007153
Product Description
Catalog Number:
AG003LB1
Chemical Name:
4-Ethoxy-2-nitroaniline
CAS Number:
616-86-4
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD00007153
IUPAC Name:
4-ethoxy-2-nitroaniline
InChI:
InChI=1S/C8H10N2O3/c1-2-13-6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3
InChI Key:
ISFYBUAVOZFROB-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)[N+](=O)[O-])N
EC Number:
210-497-8
UNII:
K7399MO0I4
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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