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104030-05-9 | 2-Benzothiazolemethanol,a-(2-methoxyphenyl)-,methylcarbamate (ester) (9CI)
CAS No: 104030-05-9 Catalog No: AG00855D MDL No:
Product Description
Catalog Number:
AG00855D
Chemical Name:
2-Benzothiazolemethanol,a-(2-methoxyphenyl)-,methylcarbamate (ester) (9CI)
CAS Number:
104030-05-9
Molecular Formula:
C17H16N2O3S
Molecular Weight:
328.3855
IUPAC Name:
[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl] N-methylcarbamate
InChI:
InChI=1S/C17H16N2O3S/c1-18-17(20)22-15(11-7-3-5-9-13(11)21-2)16-19-12-8-4-6-10-14(12)23-16/h3-10,15H,1-2H3,(H,18,20)
InChI Key:
HFMNBPYLWXBMKP-UHFFFAOYSA-N
SMILES:
CNC(=O)OC(c1ccccc1OC)c1nc2c(s1)cccc2
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.386g/mol
Monoisotopic Mass:
328.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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