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89279-23-2 | Phenol, 2-[(2,5-dichlorophenyl)[3-(dimethylamino)propyl]amino]-
CAS No: 89279-23-2 Catalog No: AG004101 MDL No:
Product Description
Catalog Number:
AG004101
Chemical Name:
Phenol, 2-[(2,5-dichlorophenyl)[3-(dimethylamino)propyl]amino]-
CAS Number:
89279-23-2
Molecular Formula:
C17H20Cl2N2O
Molecular Weight:
339.2595
IUPAC Name:
2-[2,5-dichloro-N-[3-(dimethylamino)propyl]anilino]phenol
InChI:
InChI=1S/C17H20Cl2N2O/c1-20(2)10-5-11-21(15-6-3-4-7-17(15)22)16-12-13(18)8-9-14(16)19/h3-4,6-9,12,22H,5,10-11H2,1-2H3
InChI Key:
IUTFLODVULFGFR-UHFFFAOYSA-N
SMILES:
CN(CCCN(c1cc(Cl)ccc1Cl)c1ccccc1O)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.26g/mol
Monoisotopic Mass:
338.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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