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1024054-68-9 | 4-Benzothiazolecarboxylic acid, 2-amino-, methyl ester
CAS No: 1024054-68-9 Catalog No: AG0007DJ MDL No:MFCD04971761
Product Description
Catalog Number:
AG0007DJ
Chemical Name:
4-Benzothiazolecarboxylic acid, 2-amino-, methyl ester
CAS Number:
1024054-68-9
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD04971761
IUPAC Name:
methyl 2-amino-1,3-benzothiazole-4-carboxylate
InChI:
InChI=1S/C9H8N2O2S/c1-13-8(12)5-3-2-4-6-7(5)11-9(10)14-6/h2-4H,1H3,(H2,10,11)
InChI Key:
JWSQSUAAMGQUJI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1nc(s2)N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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