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Home > Nitro Compounds > 621-52-3
621-52-3 | 1-Ethoxy-3-nitrobenzene
CAS No: 621-52-3 Catalog No: AG003JTL MDL No:MFCD00024472
Product Description
Catalog Number:
AG003JTL
Chemical Name:
1-Ethoxy-3-nitrobenzene
CAS Number:
621-52-3
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00024472
IUPAC Name:
1-ethoxy-3-nitrobenzene
InChI:
InChI=1S/C8H9NO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3
InChI Key:
LFOLBPDHVGDKGJ-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1)[N+](=O)[O-]
EC Number:
210-691-2
NSC Number:
5405
Properties
Complexity:
155
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:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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