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88753-95-1 | 2-Benzofurancarboxylic acid, 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-
CAS No: 88753-95-1 Catalog No: AG004F52 MDL No:
Product Description
Catalog Number:
AG004F52
Chemical Name:
2-Benzofurancarboxylic acid, 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-
CAS Number:
88753-95-1
Molecular Formula:
C12H9N3O3S
Molecular Weight:
275.2832
IUPAC Name:
3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C12H9N3O3S/c1-6-14-15-12(19-6)13-9-7-4-2-3-5-8(7)18-10(9)11(16)17/h2-5H,1H3,(H,13,15)(H,16,17)
InChI Key:
IBYBHYRHZVCPGR-UHFFFAOYSA-N
SMILES:
Cc1nnc(s1)Nc1c(oc2c1cccc2)C(=O)O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.282g/mol
Monoisotopic Mass:
275.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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