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1155287-41-4 | 6-Benzothiazolecarboxylic acid, 2-amino-4-bromo-5-methoxy-, methyl ester
CAS No: 1155287-41-4 Catalog No: AG000G3H MDL No:
Product Description
Catalog Number:
AG000G3H
Chemical Name:
6-Benzothiazolecarboxylic acid, 2-amino-4-bromo-5-methoxy-, methyl ester
CAS Number:
1155287-41-4
Molecular Formula:
C10H9BrN2O3S
Molecular Weight:
317.1591
IUPAC Name:
methyl 2-amino-4-bromo-5-methoxy-1,3-benzothiazole-6-carboxylate
InChI:
InChI=1S/C10H9BrN2O3S/c1-15-8-4(9(14)16-2)3-5-7(6(8)11)13-10(12)17-5/h3H,1-2H3,(H2,12,13)
InChI Key:
ZTYYDEXDHBJCSF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2sc(nc2c(c1OC)Br)N
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.952g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.157g/mol
Monoisotopic Mass:
315.952g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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