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457960-33-7 | 3-chloro-5-phenylisothiazole-4-carboxamide
CAS No: 457960-33-7 Catalog No: AG00J5J7 MDL No:MFCD02973572
Product Description
Catalog Number:
AG00J5J7
Chemical Name:
3-chloro-5-phenylisothiazole-4-carboxamide
CAS Number:
457960-33-7
Molecular Formula:
C10H7ClN2OS
Molecular Weight:
238.6934
MDL Number:
MFCD02973572
IUPAC Name:
3-chloro-5-phenyl-1,2-thiazole-4-carboxamide
InChI:
InChI=1S/C10H7ClN2OS/c11-9-7(10(12)14)8(15-13-9)6-4-2-1-3-5-6/h1-5H,(H2,12,14)
InChI Key:
RCHYXCIEWHPBJW-UHFFFAOYSA-N
SMILES:
NC(=O)c1c(Cl)nsc1c1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.997g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.689g/mol
Monoisotopic Mass:
237.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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