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Home > Nitro Compounds > 67216-72-2
67216-72-2 | Benzene, 1-(ethoxymethyl)-4-nitro-
CAS No: 67216-72-2 Catalog No: AG005Q8D MDL No:
Product Description
Catalog Number:
AG005Q8D
Chemical Name:
Benzene, 1-(ethoxymethyl)-4-nitro-
CAS Number:
67216-72-2
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
1-(ethoxymethyl)-4-nitrobenzene
InChI:
InChI=1S/C9H11NO3/c1-2-13-7-8-3-5-9(6-4-8)10(11)12/h3-6H,2,7H2,1H3
InChI Key:
BBRDAWBCVYMDPW-UHFFFAOYSA-N
SMILES:
CCOCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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