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177721-94-7 | Benzenamine, 2,4,6-trichloro-N-(cyclohexylmethyl)-
CAS No: 177721-94-7 Catalog No: AG0025HD MDL No:MFCD09263646
Product Description
Catalog Number:
AG0025HD
Chemical Name:
Benzenamine, 2,4,6-trichloro-N-(cyclohexylmethyl)-
CAS Number:
177721-94-7
Molecular Formula:
C13H16Cl3N
Molecular Weight:
292.6318
MDL Number:
MFCD09263646
IUPAC Name:
2,4,6-trichloro-N-(cyclohexylmethyl)aniline
InChI:
InChI=1S/C13H16Cl3N/c14-10-6-11(15)13(12(16)7-10)17-8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8H2
InChI Key:
NUQZKYIBVNTBHO-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1NCC1CCCCC1)Cl
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.628g/mol
Monoisotopic Mass:
291.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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