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116791-38-9 | 1-Propanol, 3-[[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]amino]-
CAS No: 116791-38-9 Catalog No: AG000D81 MDL No:
Product Description
Catalog Number:
AG000D81
Chemical Name:
1-Propanol, 3-[[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]amino]-
CAS Number:
116791-38-9
Molecular Formula:
C14H17Cl2N3O
Molecular Weight:
314.2103
IUPAC Name:
3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]amino]propan-1-ol
InChI:
InChI=1S/C14H17Cl2N3O/c15-11-2-3-12(13(16)8-11)14(18-4-1-7-20)9-19-6-5-17-10-19/h2-3,5-6,8,10,14,18,20H,1,4,7,9H2
InChI Key:
MGJRKFUSQGGVSS-UHFFFAOYSA-N
SMILES:
OCCCNC(c1ccc(cc1Cl)Cl)Cn1cncc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.21g/mol
Monoisotopic Mass:
313.075g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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