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1195619-46-5 | Benzothiazole, 5-chloro-2-(3-nitrophenyl)-
CAS No: 1195619-46-5 Catalog No: AG000P83 MDL No:
Product Description
Catalog Number:
AG000P83
Chemical Name:
Benzothiazole, 5-chloro-2-(3-nitrophenyl)-
CAS Number:
1195619-46-5
Molecular Formula:
C13H7ClN2O2S
Molecular Weight:
290.7249
IUPAC Name:
5-chloro-2-(3-nitrophenyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H7ClN2O2S/c14-9-4-5-12-11(7-9)15-13(19-12)8-2-1-3-10(6-8)16(17)18/h1-7H
InChI Key:
OSFIQYPJIDVQFK-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc(s2)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.992g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.721g/mol
Monoisotopic Mass:
289.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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