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114218-68-7 | Methanone, [2-amino-4-(trichloromethyl)-5-thiazolyl]phenyl-
CAS No: 114218-68-7 Catalog No: AG000ATL MDL No:
Product Description
Catalog Number:
AG000ATL
Chemical Name:
Methanone, [2-amino-4-(trichloromethyl)-5-thiazolyl]phenyl-
CAS Number:
114218-68-7
Molecular Formula:
C11H7Cl3N2OS
Molecular Weight:
321.6101
IUPAC Name:
[2-amino-4-(trichloromethyl)-1,3-thiazol-5-yl]-phenylmethanone
InChI:
InChI=1S/C11H7Cl3N2OS/c12-11(13,14)9-8(18-10(15)16-9)7(17)6-4-2-1-3-5-6/h1-5H,(H2,15,16)
InChI Key:
KOCVUBDXFLFOCD-UHFFFAOYSA-N
SMILES:
Nc1nc(c(s1)C(=O)c1ccccc1)C(Cl)(Cl)Cl
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.934g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.6g/mol
Monoisotopic Mass:
319.934g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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