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Home > Nitro Compounds > 893765-46-3
893765-46-3 | 1-(2-methoxy-5-nitrophenyl)adamantane
CAS No: 893765-46-3 Catalog No: AG00JH2A MDL No:MFCD29737839
Product Description
Catalog Number:
AG00JH2A
Chemical Name:
1-(2-methoxy-5-nitrophenyl)adamantane
CAS Number:
893765-46-3
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
MDL Number:
MFCD29737839
IUPAC Name:
1-(2-methoxy-5-nitrophenyl)adamantane
InChI:
InChI=1S/C17H21NO3/c1-21-16-3-2-14(18(19)20)7-15(16)17-8-11-4-12(9-17)6-13(5-11)10-17/h2-3,7,11-13H,4-6,8-10H2,1H3
InChI Key:
ALSLKCWOASOHFM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)[N+](=O)[O-]
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.359g/mol
Monoisotopic Mass:
287.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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