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15193-51-8 | 5-Methoxybenzo[d]thiazol-2(3H)-one
CAS No: 15193-51-8 Catalog No: AG006ULG MDL No:MFCD01663357
Product Description
Catalog Number:
AG006ULG
Chemical Name:
5-Methoxybenzo[d]thiazol-2(3H)-one
CAS Number:
15193-51-8
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD01663357
IUPAC Name:
5-methoxy-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C8H7NO2S/c1-11-5-2-3-7-6(4-5)9-8(10)12-7/h2-4H,1H3,(H,9,10)
InChI Key:
STFOYVOEMLDYJL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c(=O)s2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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