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936-46-9 | 4-Phenylisothiazole
CAS No: 936-46-9 Catalog No: AG006EON MDL No:
Product Description
Catalog Number:
AG006EON
Chemical Name:
4-Phenylisothiazole
CAS Number:
936-46-9
Molecular Formula:
C9H7NS
Molecular Weight:
161.2236
IUPAC Name:
4-phenyl-1,2-thiazole
InChI:
InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H
InChI Key:
RAUUYMXHIUAZCW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1csnc1
NSC Number:
111912
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.222g/mol
Monoisotopic Mass:
161.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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