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125316-98-5 | Phenol, 2-nitro-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS No: 125316-98-5 Catalog No: AG000NHD MDL No:
Product Description
Catalog Number:
AG000NHD
Chemical Name:
Phenol, 2-nitro-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS Number:
125316-98-5
Molecular Formula:
C18H28N2O3
Molecular Weight:
320.4265
IUPAC Name:
N-cyclohexylcyclohexanamine;2-nitrophenol
InChI:
InChI=1S/C12H23N.C6H5NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-6-4-2-1-3-5(6)7(9)10/h11-13H,1-10H2;1-4,8H
InChI Key:
SMWYHBWSQMJGEE-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.[O-][N+](=O)c1ccccc1O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.21g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.433g/mol
Monoisotopic Mass:
320.21g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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