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89520-60-5 | 2-Cyclopenten-1-one, 3-[(4-bromophenyl)amino]-2,4,4,5,5-pentachloro-
CAS No: 89520-60-5 Catalog No: AG0040VE MDL No:
Product Description
Catalog Number:
AG0040VE
Chemical Name:
2-Cyclopenten-1-one, 3-[(4-bromophenyl)amino]-2,4,4,5,5-pentachloro-
CAS Number:
89520-60-5
Molecular Formula:
C11H5BrCl5NO
Molecular Weight:
424.3325
IUPAC Name:
3-(4-bromoanilino)-2,4,4,5,5-pentachlorocyclopent-2-en-1-one
InChI:
InChI=1S/C11H5BrCl5NO/c12-5-1-3-6(4-2-5)18-8-7(13)9(19)11(16,17)10(8,14)15/h1-4,18H
InChI Key:
SDUHIAFBGBZCTH-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NC1=C(Cl)C(=O)C(C1(Cl)Cl)(Cl)Cl
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.797g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.321g/mol
Monoisotopic Mass:
420.8g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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