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102433-54-5

102433-54-5 | Urea, N-(2-chloroethyl)-N'-(6-methoxy-2-benzothiazolyl)-

CAS No: 102433-54-5 Catalog No: AG0007GF MDL No:

Product Description

Catalog Number:
AG0007GF
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(6-methoxy-2-benzothiazolyl)-
CAS Number:
102433-54-5
Molecular Formula:
C11H12ClN3O2S
Molecular Weight:
285.7499
IUPAC Name:
1-(2-chloroethyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
InChI:
InChI=1S/C11H12ClN3O2S/c1-17-7-2-3-8-9(6-7)18-11(14-8)15-10(16)13-5-4-12/h2-3,6H,4-5H2,1H3,(H2,13,14,15,16)
InChI Key:
IEWDTUTVDKFBJI-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1nc2c(s1)cc(cc2)OC
NSC Number:
160091

Properties

Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.034g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
285.746g/mol
Monoisotopic Mass:
285.034g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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