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1465592-00-0 | 3-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CAS No: 1465592-00-0 Catalog No: AG01AW46 MDL No:MFCD21143832
Product Description
Catalog Number:
AG01AW46
Chemical Name:
3-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CAS Number:
1465592-00-0
Molecular Formula:
C11H11IN2S
Molecular Weight:
330.1879
MDL Number:
MFCD21143832
IUPAC Name:
3-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
InChI:
InChI=1S/C11H11IN2S/c1-8(11-13-5-6-15-11)14-10-4-2-3-9(12)7-10/h2-8,14H,1H3
InChI Key:
XZPLVRACHSMWIP-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)NC(c1nccs1)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.969g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.187g/mol
Monoisotopic Mass:
329.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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