Home Halogens 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetic acid

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetic acid

CAS No.:
851879-29-3
Catalog Number:
AG00IDKL
Molecular Formula:
C11H8BrNO2S
Molecular Weight:
298.1557
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Product Description
Catalog Number:
AG00IDKL
Chemical Name:
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetic acid
CAS Number:
851879-29-3
Molecular Formula:
C11H8BrNO2S
Molecular Weight:
298.1557
MDL Number:
MFCD06655279
IUPAC Name:
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C11H8BrNO2S/c12-8-3-1-2-7(4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChI Key:
IDCRSZLCNDGRCW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)c1cccc(c1)Br
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.946g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.154g/mol
Monoisotopic Mass:
296.946g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties