Home Carboxys 2-[(4-aminophenyl)methyl]-1,3-thiazole-4-carboxylic acid dihydrochloride

2-[(4-aminophenyl)methyl]-1,3-thiazole-4-carboxylic acid dihydrochloride

CAS No.:
1461708-11-1
Catalog Number:
AG01A6DL
Molecular Formula:
C11H12Cl2N2O2S
Molecular Weight:
307.1962
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Product Description
Catalog Number:
AG01A6DL
Chemical Name:
2-[(4-aminophenyl)methyl]-1,3-thiazole-4-carboxylic acid dihydrochloride
CAS Number:
1461708-11-1
Molecular Formula:
C11H12Cl2N2O2S
Molecular Weight:
307.1962
MDL Number:
MFCD25371798
IUPAC Name:
2-[(4-aminophenyl)methyl]-1,3-thiazole-4-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C11H10N2O2S.2ClH/c12-8-3-1-7(2-4-8)5-10-13-9(6-16-10)11(14)15;;/h1-4,6H,5,12H2,(H,14,15);2*1H
InChI Key:
XFFUXWYTPBGVDS-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1scc(n1)C(=O)O.Cl.Cl
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
307.189g/mol
Monoisotopic Mass:
306g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties