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80785-16-6 | 2-[4-[[(3,4-DICHLOROPHENYL)AMINO]-PHENYL-METHYLIDENE]AZANIUMYLPHENOXY] ETHYL-DIPROPAN-2-YL-AZANIUM DICHLORIDE
CAS No: 80785-16-6 Catalog No: AG0051EY MDL No:
Product Description
Catalog Number:
AG0051EY
Chemical Name:
2-[4-[[(3,4-DICHLOROPHENYL)AMINO]-PHENYL-METHYLIDENE]AZANIUMYLPHENOXY] ETHYL-DIPROPAN-2-YL-AZANIUM DICHLORIDE
CAS Number:
80785-16-6
Molecular Formula:
C27H33Cl4N3O
Molecular Weight:
557.3824
IUPAC Name:
2-[4-[(3,4-dichloroanilino)-phenylmethylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium;dichloride
InChI:
InChI=1S/C27H31Cl2N3O.2ClH/c1-19(2)32(20(3)4)16-17-33-24-13-10-22(11-14-24)30-27(21-8-6-5-7-9-21)31-23-12-15-25(28)26(29)18-23;;/h5-15,18-20H,16-17H2,1-4H3,(H,30,31);2*1H
InChI Key:
QHXWQYAMOKQPQJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)NC(=[NH+]c1ccc(cc1)OCC[NH+](C(C)C)C(C)C)c1ccccc1.[Cl-].[Cl-]
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
557.135g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
557.381g/mol
Monoisotopic Mass:
555.138g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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