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111716-73-5 | Propanoyl chloride, 2-[4-(2-benzothiazolyloxy)phenoxy]-
CAS No: 111716-73-5 Catalog No: AG0078XG MDL No:
Product Description
Catalog Number:
AG0078XG
Chemical Name:
Propanoyl chloride, 2-[4-(2-benzothiazolyloxy)phenoxy]-
CAS Number:
111716-73-5
Molecular Formula:
C16H12ClNO3S
Molecular Weight:
333.7894
IUPAC Name:
2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]propanoyl chloride
InChI:
InChI=1S/C16H12ClNO3S/c1-10(15(17)19)20-11-6-8-12(9-7-11)21-16-18-13-4-2-3-5-14(13)22-16/h2-10H,1H3
InChI Key:
CTFXKYXMCVKDNE-UHFFFAOYSA-N
SMILES:
ClC(=O)C(Oc1ccc(cc1)Oc1nc2c(s1)cccc2)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.023g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.786g/mol
Monoisotopic Mass:
333.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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