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Home > Nitro Compounds > 282104-73-8
282104-73-8 | 1-Isopropyl-4-methyl-2-[(4-nitrobenzyl)oxy]benzene
CAS No: 282104-73-8 Catalog No: AG00I5AW MDL No:MFCD00413777
Product Description
Catalog Number:
AG00I5AW
Chemical Name:
1-Isopropyl-4-methyl-2-[(4-nitrobenzyl)oxy]benzene
CAS Number:
282104-73-8
Molecular Formula:
C17H19NO3
Molecular Weight:
285.3377
MDL Number:
MFCD00413777
IUPAC Name:
4-methyl-2-[(4-nitrophenyl)methoxy]-1-propan-2-ylbenzene
InChI:
InChI=1S/C17H19NO3/c1-12(2)16-9-4-13(3)10-17(16)21-11-14-5-7-15(8-6-14)18(19)20/h4-10,12H,11H2,1-3H3
InChI Key:
FDOUPKOYCQGJPR-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)OCc1ccc(cc1)[N+](=O)[O-])C(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.343g/mol
Monoisotopic Mass:
285.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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