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28956-35-6 | Urea, N-(4-chloro-2-benzothiazolyl)-N'-methyl-
CAS No: 28956-35-6 Catalog No: AG002UZJ MDL No:
Product Description
Catalog Number:
AG002UZJ
Chemical Name:
Urea, N-(4-chloro-2-benzothiazolyl)-N'-methyl-
CAS Number:
28956-35-6
Molecular Formula:
C9H8ClN3OS
Molecular Weight:
241.6973
IUPAC Name:
1-(4-chloro-1,3-benzothiazol-2-yl)-3-methylurea
InChI:
InChI=1S/C9H8ClN3OS/c1-11-8(14)13-9-12-7-5(10)3-2-4-6(7)15-9/h2-4H,1H3,(H2,11,12,13,14)
InChI Key:
LZDMPKQOIJDTQL-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1sc2c(n1)c(Cl)ccc2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.008g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.693g/mol
Monoisotopic Mass:
241.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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