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1261231-98-4 | 4-(3-Chloro-benzylamino)-cyclohexanol
CAS No: 1261231-98-4 Catalog No: AG01FCZM MDL No:
Product Description
Catalog Number:
AG01FCZM
Chemical Name:
4-(3-Chloro-benzylamino)-cyclohexanol
CAS Number:
1261231-98-4
Molecular Formula:
C13H18ClNO
Molecular Weight:
239.7411
IUPAC Name:
4-[(3-chlorophenyl)methylamino]cyclohexan-1-ol
InChI:
InChI=1S/C13H18ClNO/c14-11-3-1-2-10(8-11)9-15-12-4-6-13(16)7-5-12/h1-3,8,12-13,15-16H,4-7,9H2
InChI Key:
HFNADFUHMRTDFZ-UHFFFAOYSA-N
SMILES:
O[C@@H]1CC[C@H](CC1)NCc1cccc(c1)Cl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.743g/mol
Monoisotopic Mass:
239.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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