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24777-05-7 | Phenol, 2-nitro-4-octyl-
CAS No: 24777-05-7 Catalog No: AG002PEK MDL No:
Product Description
Catalog Number:
AG002PEK
Chemical Name:
Phenol, 2-nitro-4-octyl-
CAS Number:
24777-05-7
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
2-nitro-4-octylphenol
InChI:
InChI=1S/C14H21NO3/c1-2-3-4-5-6-7-8-12-9-10-14(16)13(11-12)15(17)18/h9-11,16H,2-8H2,1H3
InChI Key:
LNAUXDDMFRUBPS-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(c(c1)[N+](=O)[O-])O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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