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Home > Nitro Compounds > 91247-92-6
91247-92-6 | 2-Nitro-4-tert-pentyl-phenol
CAS No: 91247-92-6 Catalog No: AG0039ED MDL No:MFCD16742720
Product Description
Catalog Number:
AG0039ED
Chemical Name:
2-Nitro-4-tert-pentyl-phenol
CAS Number:
91247-92-6
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD16742720
IUPAC Name:
4-(2-methylbutan-2-yl)-2-nitrophenol
InChI:
InChI=1S/C11H15NO3/c1-4-11(2,3)8-5-6-10(13)9(7-8)12(14)15/h5-7,13H,4H2,1-3H3
InChI Key:
QMZBVXMQEWCXEL-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)[N+](=O)[O-])O)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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