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Home > Nitro Compounds > 121768-32-9
121768-32-9 | N1-(3-nitrophenyl)-1-adamantanecarboxamide
CAS No: 121768-32-9 Catalog No: AG01CALV MDL No:MFCD00194293
Product Description
Catalog Number:
AG01CALV
Chemical Name:
N1-(3-nitrophenyl)-1-adamantanecarboxamide
CAS Number:
121768-32-9
Molecular Formula:
C17H20N2O3
Molecular Weight:
300.3523
MDL Number:
MFCD00194293
IUPAC Name:
N-(3-nitrophenyl)adamantane-1-carboxamide
InChI:
InChI=1S/C17H20N2O3/c20-16(18-14-2-1-3-15(7-14)19(21)22)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H,18,20)
InChI Key:
TZDCWSSFXSVSEK-UHFFFAOYSA-N
SMILES:
O=C(C12CC3CC(C2)CC(C1)C3)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.358g/mol
Monoisotopic Mass:
300.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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