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1134600-62-6 | 4-Thiazolecarboxylic acid, 2-[(4-methoxyphenyl)amino]-, hydrobromide (1:1)
CAS No: 1134600-62-6 Catalog No: AG0008NW MDL No:MFCD09027184
Product Description
Catalog Number:
AG0008NW
Chemical Name:
4-Thiazolecarboxylic acid, 2-[(4-methoxyphenyl)amino]-, hydrobromide (1:1)
CAS Number:
1134600-62-6
Molecular Formula:
C11H11BrN2O3S
Molecular Weight:
331.1856
MDL Number:
MFCD09027184
IUPAC Name:
2-(4-methoxyanilino)-1,3-thiazole-4-carboxylic acid;hydrobromide
InChI:
InChI=1S/C11H10N2O3S.BrH/c1-16-8-4-2-7(3-5-8)12-11-13-9(6-17-11)10(14)15;/h2-6H,1H3,(H,12,13)(H,14,15);1H
InChI Key:
RYZREMLIKQFURG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1scc(n1)C(=O)O.Br
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.967g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
331.184g/mol
Monoisotopic Mass:
329.967g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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