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832724-84-2 | 2-Thiazolidinimine, 4-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-
CAS No: 832724-84-2 Catalog No: AG004TBW MDL No:
Product Description
Catalog Number:
AG004TBW
Chemical Name:
2-Thiazolidinimine, 4-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-
CAS Number:
832724-84-2
Molecular Formula:
C12H15ClN2OS
Molecular Weight:
270.7783
IUPAC Name:
4-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-imine
InChI:
InChI=1S/C12H15ClN2OS/c1-16-11-4-2-9(3-5-11)7-15-10(6-13)8-17-12(15)14/h2-5,10,14H,6-8H2,1H3
InChI Key:
AQZLTGUOZTZFHW-UHFFFAOYSA-N
SMILES:
ClCC1CSC(=N)N1Cc1ccc(cc1)OC
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.775g/mol
Monoisotopic Mass:
270.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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