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88596-47-8 | Cyclohexanol, 1,1'-[[(2,5-dichlorophenyl)imino]di-1-propyne-3,1-diyl]bis-
CAS No: 88596-47-8 Catalog No: AG004CVN MDL No:
Product Description
Catalog Number:
AG004CVN
Chemical Name:
Cyclohexanol, 1,1'-[[(2,5-dichlorophenyl)imino]di-1-propyne-3,1-diyl]bis-
CAS Number:
88596-47-8
Molecular Formula:
C24H29Cl2NO2
Molecular Weight:
434.3986
IUPAC Name:
1-[3-[2,5-dichloro-N-[3-(1-hydroxycyclohexyl)prop-2-ynyl]anilino]prop-1-ynyl]cyclohexan-1-ol
InChI:
InChI=1S/C24H29Cl2NO2/c25-20-9-10-21(26)22(19-20)27(17-7-15-23(28)11-3-1-4-12-23)18-8-16-24(29)13-5-2-6-14-24/h9-10,19,28-29H,1-6,11-14,17-18H2
InChI Key:
ZPSJKEJXVSIHEU-UHFFFAOYSA-N
SMILES:
OC1(CCCCC1)C#CCN(c1cc(Cl)ccc1Cl)CC#CC1(O)CCCCC1
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.158g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
434.401g/mol
Monoisotopic Mass:
433.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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