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127367-73-1 | 1,4-Benzenediol, 2-(2-amino-5-selenazolyl)-3,5,6-trichloro-
CAS No: 127367-73-1 Catalog No: AG000X02 MDL No:
Product Description
Catalog Number:
AG000X02
Chemical Name:
1,4-Benzenediol, 2-(2-amino-5-selenazolyl)-3,5,6-trichloro-
CAS Number:
127367-73-1
Molecular Formula:
C9H5Cl3N2O2Se
Molecular Weight:
358.4672
IUPAC Name:
2-(2-amino-1,3-selenazol-5-yl)-3,5,6-trichlorobenzene-1,4-diol
InChI:
InChI=1S/C9H5Cl3N2O2Se/c10-4-3(2-1-14-9(13)17-2)7(15)5(11)6(12)8(4)16/h1,15-16H,(H2,13,14)
InChI Key:
CPEZNPGKPMPWEA-UHFFFAOYSA-N
SMILES:
Nc1ncc([se]1)c1c(Cl)c(O)c(c(c1O)Cl)Cl
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.858g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
358.472g/mol
Monoisotopic Mass:
357.858g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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