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Home > Nitro Compounds > 26455-31-2
26455-31-2 | Benzene, 1-(1-methylethoxy)-4-nitro-
CAS No: 26455-31-2 Catalog No: AG002TAZ MDL No:MFCD01327671
Product Description
Catalog Number:
AG002TAZ
Chemical Name:
Benzene, 1-(1-methylethoxy)-4-nitro-
CAS Number:
26455-31-2
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD01327671
IUPAC Name:
1-nitro-4-propan-2-yloxybenzene
InChI:
InChI=1S/C9H11NO3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3
InChI Key:
GSOJVDNLACMALV-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
168
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:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Cooperativity of cytochrome P450 1A2: interactions of 1,4-phenylene diisocyanide and 1-isopropoxy-4-nitrobenzene. | Archives of biochemistry and biophysics 20080501 |
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