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88596-45-6 | 3-Pentyn-2-ol, 5,5'-[(4-chlorophenyl)imino]bis[2-methyl-
CAS No: 88596-45-6 Catalog No: AG004AZR MDL No:
Product Description
Catalog Number:
AG004AZR
Chemical Name:
3-Pentyn-2-ol, 5,5'-[(4-chlorophenyl)imino]bis[2-methyl-
CAS Number:
88596-45-6
Molecular Formula:
C18H22ClNO2
Molecular Weight:
319.8258
IUPAC Name:
5-(4-chloro-N-(4-hydroxy-4-methylpent-2-ynyl)anilino)-2-methylpent-3-yn-2-ol
InChI:
InChI=1S/C18H22ClNO2/c1-17(2,21)11-5-13-20(14-6-12-18(3,4)22)16-9-7-15(19)8-10-16/h7-10,21-22H,13-14H2,1-4H3
InChI Key:
CEVMRWAWPVUSOG-UHFFFAOYSA-N
SMILES:
CC(C#CCN(c1ccc(cc1)Cl)CC#CC(O)(C)C)(O)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.829g/mol
Monoisotopic Mass:
319.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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