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1624261-77-3 | 1,2,3-Thiadiazole-5-carboxylic acid, 4-[(phenylmethoxy)methyl]-, ethyl ester
CAS No: 1624261-77-3 Catalog No: AG001T4J MDL No:
Product Description
Catalog Number:
AG001T4J
Chemical Name:
1,2,3-Thiadiazole-5-carboxylic acid, 4-[(phenylmethoxy)methyl]-, ethyl ester
CAS Number:
1624261-77-3
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
IUPAC Name:
ethyl 4-(phenylmethoxymethyl)thiadiazole-5-carboxylate
InChI:
InChI=1S/C13H14N2O3S/c1-2-18-13(16)12-11(14-15-19-12)9-17-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
USYZYFCDWQYQJM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1snnc1COCc1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.326g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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