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918341-96-5

918341-96-5 | 4-Thiazoleacetic acid, 2-[(4-bromo-3-fluorophenyl)amino]-

CAS No: 918341-96-5 Catalog No: AG006G4J MDL No:

Product Description

Catalog Number:
AG006G4J
Chemical Name:
4-Thiazoleacetic acid, 2-[(4-bromo-3-fluorophenyl)amino]-
CAS Number:
918341-96-5
Molecular Formula:
C11H8BrFN2O2S
Molecular Weight:
331.1608
IUPAC Name:
2-[2-(4-bromo-3-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C11H8BrFN2O2S/c12-8-2-1-6(3-9(8)13)14-11-15-7(5-18-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChI Key:
ATAPYPCZZFOUDF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)Nc1ccc(c(c1)F)Br

Properties

Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.947g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
331.159g/mol
Monoisotopic Mass:
329.947g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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