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124370-26-9 | 1,2,3-Benzothiadiazole-7-carboxylic acid, phenylmethyl ester
CAS No: 124370-26-9 Catalog No: AG000LX0 MDL No:
Product Description
Catalog Number:
AG000LX0
Chemical Name:
1,2,3-Benzothiadiazole-7-carboxylic acid, phenylmethyl ester
CAS Number:
124370-26-9
Molecular Formula:
C14H10N2O2S
Molecular Weight:
270.3064
IUPAC Name:
benzyl 1,2,3-benzothiadiazole-7-carboxylate
InChI:
InChI=1S/C14H10N2O2S/c17-14(18-9-10-5-2-1-3-6-10)11-7-4-8-12-13(11)19-16-15-12/h1-8H,9H2
InChI Key:
PZYASAHPHYCDDC-UHFFFAOYSA-N
SMILES:
O=C(c1cccc2c1snn2)OCc1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.306g/mol
Monoisotopic Mass:
270.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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