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95233-18-4 | 2-(trans-4-(4-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthalenedione
CAS No: 95233-18-4 Catalog No: AG0036UM MDL No:MFCD00889188
Product Description
Catalog Number:
AG0036UM
Chemical Name:
2-(trans-4-(4-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthalenedione
CAS Number:
95233-18-4
Molecular Formula:
C22H19ClO3
Molecular Weight:
366.8375
MDL Number:
MFCD00889188
IUPAC Name:
3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione
InChI:
InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,24H,5-8H2
InChI Key:
BSJMWHQBCZFXBR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)[C@@H]1CC[C@H](CC1)C1=C(O)C(=O)c2c(C1=O)cccc2
UNII:
Y883P1Z2LT
NSC Number:
759582
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.102g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.841g/mol
Monoisotopic Mass:
366.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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