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Home > Nitro Compounds > 14143-34-1
14143-34-1 | Phenol, 3-ethyl-4-nitro-
CAS No: 14143-34-1 Catalog No: AG001GDC MDL No:
Product Description
Catalog Number:
AG001GDC
Chemical Name:
Phenol, 3-ethyl-4-nitro-
CAS Number:
14143-34-1
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
3-ethyl-4-nitrophenol
InChI:
InChI=1S/C8H9NO3/c1-2-6-5-7(10)3-4-8(6)9(11)12/h3-5,10H,2H2,1H3
InChI Key:
URRALPANRJHSQK-UHFFFAOYSA-N
SMILES:
CCc1cc(O)ccc1[N+](=O)[O-]
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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