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Home > Nitro Compounds > 851385-08-5
851385-08-5 | Benzene, 1,4-bis(1-ethylpropyl)-2-nitro-
CAS No: 851385-08-5 Catalog No: AG004QSI MDL No:
Product Description
Catalog Number:
AG004QSI
Chemical Name:
Benzene, 1,4-bis(1-ethylpropyl)-2-nitro-
CAS Number:
851385-08-5
Molecular Formula:
C16H25NO2
Molecular Weight:
263.3752
IUPAC Name:
2-nitro-1,4-di(pentan-3-yl)benzene
InChI:
InChI=1S/C16H25NO2/c1-5-12(6-2)14-9-10-15(13(7-3)8-4)16(11-14)17(18)19/h9-13H,5-8H2,1-4H3
InChI Key:
GKRHODSSGQBTLD-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)[N+](=O)[O-])C(CC)CC)CC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.189g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.381g/mol
Monoisotopic Mass:
263.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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