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41631-62-3 | 3-Phenylbenzothiazol-2(3H)-one
CAS No: 41631-62-3 Catalog No: AG00D6TN MDL No:
Product Description
Catalog Number:
AG00D6TN
Chemical Name:
3-Phenylbenzothiazol-2(3H)-one
CAS Number:
41631-62-3
IUPAC Name:
3-phenyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C13H9NOS/c15-13-14(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h1-9H
InChI Key:
BHPSZHMGNYEULP-UHFFFAOYSA-N
NSC Number:
158618
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.281g/mol
Monoisotopic Mass:
227.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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