200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 361984-34-1
361984-34-1 | 1-(4-ethyl-3-nitrophenyl)adamantane
CAS No: 361984-34-1 Catalog No: AG00JGN6 MDL No:
Product Description
Catalog Number:
AG00JGN6
Chemical Name:
1-(4-ethyl-3-nitrophenyl)adamantane
CAS Number:
361984-34-1
Molecular Formula:
C18H23NO2
Molecular Weight:
285.3807
IUPAC Name:
1-(4-ethyl-3-nitrophenyl)adamantane
InChI:
InChI=1S/C18H23NO2/c1-2-15-3-4-16(8-17(15)19(20)21)18-9-12-5-13(10-18)7-14(6-12)11-18/h3-4,8,12-14H,2,5-7,9-11H2,1H3
InChI Key:
ZEUZIODUGWGGHQ-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1[N+](=O)[O-])C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.387g/mol
Monoisotopic Mass:
285.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.