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Home > Nitro Compounds > 122329-02-6
122329-02-6 | Benzene, 1-nitro-2-(tetradecyloxy)-
CAS No: 122329-02-6 Catalog No: AG00173L MDL No:MFCD00024222
Product Description
Catalog Number:
AG00173L
Chemical Name:
Benzene, 1-nitro-2-(tetradecyloxy)-
CAS Number:
122329-02-6
Molecular Formula:
C20H33NO3
Molecular Weight:
335.4809
MDL Number:
MFCD00024222
IUPAC Name:
1-nitro-2-tetradecoxybenzene
InChI:
InChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-20-17-14-13-16-19(20)21(22)23/h13-14,16-17H,2-12,15,18H2,1H3
InChI Key:
PZZKFDTVGVZNJP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOc1ccccc1[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.246g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.488g/mol
Monoisotopic Mass:
335.246g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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