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88094-48-8 | 3(2H)-Pyridazinone, 2-butyl-4-chloro-5-[(4-cyclohexylphenyl)methoxy]-
CAS No: 88094-48-8 Catalog No: AG004EHA MDL No:
Product Description
Catalog Number:
AG004EHA
Chemical Name:
3(2H)-Pyridazinone, 2-butyl-4-chloro-5-[(4-cyclohexylphenyl)methoxy]-
CAS Number:
88094-48-8
Molecular Formula:
C21H27ClN2O2
Molecular Weight:
374.9043
IUPAC Name:
2-butyl-4-chloro-5-[(4-cyclohexylphenyl)methoxy]pyridazin-3-one
InChI:
InChI=1S/C21H27ClN2O2/c1-2-3-13-24-21(25)20(22)19(14-23-24)26-15-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h9-12,14,17H,2-8,13,15H2,1H3
InChI Key:
XQJURYTYJGZXGR-UHFFFAOYSA-N
SMILES:
CCCCn1ncc(c(c1=O)Cl)OCc1ccc(cc1)C1CCCCC1
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.176g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.909g/mol
Monoisotopic Mass:
374.176g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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