Home Halogens 2-(2-bromo-1,3-thiazol-4-yl)acetic acid

2-(2-bromo-1,3-thiazol-4-yl)acetic acid

CAS No.:
62557-07-7
Catalog Number:
AG00EJYK
Molecular Formula:
C5H4BrNO2S
Molecular Weight:
222.0598
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Product Description
Catalog Number:
AG00EJYK
Chemical Name:
2-(2-bromo-1,3-thiazol-4-yl)acetic acid
CAS Number:
62557-07-7
Molecular Formula:
C5H4BrNO2S
Molecular Weight:
222.0598
MDL Number:
MFCD18410768
IUPAC Name:
2-(2-bromo-1,3-thiazol-4-yl)acetic acid
InChI:
InChI=1S/C5H4BrNO2S/c6-5-7-3(2-10-5)1-4(8)9/h2H,1H2,(H,8,9)
InChI Key:
XRFOEVFLFSRHLN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)Br
Properties
Complexity:
144  
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:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties