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Home > Nitro Compounds > 574715-94-9
574715-94-9 | N-cyclooctyl-2-nitrobenzamide
CAS No: 574715-94-9 Catalog No: AG00JH4A MDL No:MFCD01624330
Product Description
Catalog Number:
AG00JH4A
Chemical Name:
N-cyclooctyl-2-nitrobenzamide
CAS Number:
574715-94-9
Molecular Formula:
C15H20N2O3
Molecular Weight:
276.3309
MDL Number:
MFCD01624330
IUPAC Name:
N-cyclooctyl-2-nitrobenzamide
InChI:
InChI=1S/C15H20N2O3/c18-15(13-10-6-7-11-14(13)17(19)20)16-12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2,(H,16,18)
InChI Key:
KZMKDRNYTPWONN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])NC1CCCCCCC1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.336g/mol
Monoisotopic Mass:
276.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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