Home Halogens 4-Thiazolecarboxylicacid,5-bromo-2-methyl-(9CI)

4-Thiazolecarboxylicacid,5-bromo-2-methyl-(9CI)

CAS No.:
899897-20-2
Catalog Number:
AG00H2L1
Molecular Formula:
C5H4BrNO2S
Molecular Weight:
222.0598
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Product Description
Catalog Number:
AG00H2L1
Chemical Name:
4-Thiazolecarboxylicacid,5-bromo-2-methyl-(9CI)
CAS Number:
899897-20-2
Molecular Formula:
C5H4BrNO2S
Molecular Weight:
222.0598
MDL Number:
MFCD18821105
IUPAC Name:
5-bromo-2-methyl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C5H4BrNO2S/c1-2-7-3(5(8)9)4(6)10-2/h1H3,(H,8,9)
InChI Key:
LACAQBIVCVSXHQ-UHFFFAOYSA-N
SMILES:
Cc1sc(c(n1)C(=O)O)Br
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.915g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.056g/mol
Monoisotopic Mass:
220.915g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties