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41881-82-7 | 1-Propanone,1-(2-benzothiazolyl)-(7CI,9CI)
CAS No: 41881-82-7 Catalog No: AG00CKDQ MDL No:
Product Description
Catalog Number:
AG00CKDQ
Chemical Name:
1-Propanone,1-(2-benzothiazolyl)-(7CI,9CI)
CAS Number:
41881-82-7
IUPAC Name:
1-(1,3-benzothiazol-2-yl)propan-1-one
InChI:
InChI=1S/C10H9NOS/c1-2-8(12)10-11-7-5-3-4-6-9(7)13-10/h3-6H,2H2,1H3
InChI Key:
SRZUIQKDTSRZNK-UHFFFAOYSA-N
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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