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727652-42-8

727652-42-8 | 3-[6-Bromo-2-(4-fluoro-phenyl)-imidazo[1,2-a]-pyridin-3-yl]-acrylic acid

CAS No: 727652-42-8 Catalog No: AG01EX5W MDL No:

Product Description

Catalog Number:
AG01EX5W
Chemical Name:
3-[6-Bromo-2-(4-fluoro-phenyl)-imidazo[1,2-a]-pyridin-3-yl]-acrylic acid
CAS Number:
727652-42-8
Molecular Formula:
C16H10BrFN2O2
Molecular Weight:
361.1652
IUPAC Name:
(E)-3-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C16H10BrFN2O2/c17-11-3-7-14-19-16(10-1-4-12(18)5-2-10)13(20(14)9-11)6-8-15(21)22/h1-9H,(H,21,22)/b8-6+
InChI Key:
DDRRRKAHRYREPS-SOFGYWHQSA-N
SMILES:
OC(=O)/C=C/c1c(nc2n1cc(Br)cc2)c1ccc(cc1)F

Properties

Complexity:
440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
359.991g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
361.17g/mol
Monoisotopic Mass:
359.991g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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