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Home > Nitro Compounds > 712344-65-5
712344-65-5 | 2,4-Dimethyl-1-(3-nitro-benzyloxy)-benzene
CAS No: 712344-65-5 Catalog No: AG01EX27 MDL No:
Product Description
Catalog Number:
AG01EX27
Chemical Name:
2,4-Dimethyl-1-(3-nitro-benzyloxy)-benzene
CAS Number:
712344-65-5
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
2,4-dimethyl-1-[(3-nitrophenyl)methoxy]benzene
InChI:
InChI=1S/C15H15NO3/c1-11-6-7-15(12(2)8-11)19-10-13-4-3-5-14(9-13)16(17)18/h3-9H,10H2,1-2H3
InChI Key:
UHPGMRPFIQJHJD-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)OCc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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