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100585-58-8 | 2-Thiazolamine, N-(4-chlorophenyl)-
CAS No: 100585-58-8 Catalog No: AG0002ER MDL No:
Product Description
Catalog Number:
AG0002ER
Chemical Name:
2-Thiazolamine, N-(4-chlorophenyl)-
CAS Number:
100585-58-8
Molecular Formula:
C9H7ClN2S
Molecular Weight:
210.6833
IUPAC Name:
N-(4-chlorophenyl)-1,3-thiazol-2-amine
InChI:
InChI=1S/C9H7ClN2S/c10-7-1-3-8(4-2-7)12-9-11-5-6-13-9/h1-6H,(H,11,12)
InChI Key:
DZCHHZPRYALHIU-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Nc1nccs1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.679g/mol
Monoisotopic Mass:
210.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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