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Home > Nitro Compounds > 2060035-84-7
2060035-84-7 | 4-nitro-2-(3,3,5-trimethylcyclohexyl)aniline
CAS No: 2060035-84-7 Catalog No: AG01BY47 MDL No:MFCD30488430
Product Description
Catalog Number:
AG01BY47
Chemical Name:
4-nitro-2-(3,3,5-trimethylcyclohexyl)aniline
CAS Number:
2060035-84-7
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
MDL Number:
MFCD30488430
IUPAC Name:
4-nitro-2-(3,3,5-trimethylcyclohexyl)aniline
InChI:
InChI=1S/C15H22N2O2/c1-10-6-11(9-15(2,3)8-10)13-7-12(17(18)19)4-5-14(13)16/h4-5,7,10-11H,6,8-9,16H2,1-3H3
InChI Key:
LRZLMSJNTGOYDW-UHFFFAOYSA-N
SMILES:
CC1CC(CC(C1)(C)C)c1cc(ccc1N)[N+](=O)[O-]
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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