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Home > Nitro Compounds > 85078-26-8
85078-26-8 | 1,1'-(2-nitroethane-1,1-diyl)bis(4-methylbenzene)
CAS No: 85078-26-8 Catalog No: AG004OOO MDL No:
Product Description
Catalog Number:
AG004OOO
Chemical Name:
1,1'-(2-nitroethane-1,1-diyl)bis(4-methylbenzene)
CAS Number:
85078-26-8
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
1-methyl-4-[1-(4-methylphenyl)-2-nitroethyl]benzene
InChI:
InChI=1S/C16H17NO2/c1-12-3-7-14(8-4-12)16(11-17(18)19)15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3
InChI Key:
UJXJGTJGQDRICC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(c1ccc(cc1)C)C[N+](=O)[O-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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