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86373-83-3 | Benzoic acid, 4-[[3-(4-chlorophenyl)propyl]ethylamino]-
CAS No: 86373-83-3 Catalog No: AG004PZF MDL No:
Product Description
Catalog Number:
AG004PZF
Chemical Name:
Benzoic acid, 4-[[3-(4-chlorophenyl)propyl]ethylamino]-
CAS Number:
86373-83-3
Molecular Formula:
C18H20ClNO2
Molecular Weight:
317.8099
IUPAC Name:
4-[3-(4-chlorophenyl)propyl-ethylamino]benzoic acid
InChI:
InChI=1S/C18H20ClNO2/c1-2-20(17-11-7-15(8-12-17)18(21)22)13-3-4-14-5-9-16(19)10-6-14/h5-12H,2-4,13H2,1H3,(H,21,22)
InChI Key:
MURPZJGMYHSKMV-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C(=O)O)CCCc1ccc(cc1)Cl
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.118g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.813g/mol
Monoisotopic Mass:
317.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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