Home Nitros Phenol, 3-ethoxy-4-nitro-

Phenol, 3-ethoxy-4-nitro-

CAS No.:
64635-54-7
Catalog Number:
AG006S5C
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG006S5C
Chemical Name:
Phenol, 3-ethoxy-4-nitro-
CAS Number:
64635-54-7
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD23111050
IUPAC Name:
3-ethoxy-4-nitrophenol
InChI:
InChI=1S/C8H9NO4/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5,10H,2H2,1H3
InChI Key:
ZUNWONPKZLVYCJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1OCC)O
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties