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727652-49-5 | 3-[6-Bromo-2-(3-methoxy-phenyl)-imidazo[1,2-a]-pyridin-3-yl]-acrylic acid
CAS No: 727652-49-5 Catalog No: AG01EX5X MDL No:
Product Description
Catalog Number:
AG01EX5X
Chemical Name:
3-[6-Bromo-2-(3-methoxy-phenyl)-imidazo[1,2-a]-pyridin-3-yl]-acrylic acid
CAS Number:
727652-49-5
Molecular Formula:
C17H13BrN2O3
Molecular Weight:
373.2007
IUPAC Name:
3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C17H13BrN2O3/c1-23-13-4-2-3-11(9-13)17-14(6-8-16(21)22)20-10-12(18)5-7-15(20)19-17/h2-10H,1H3,(H,21,22)
InChI Key:
LUKCGGPETAIVJQ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1nc2n(c1/C=C/C(=O)O)cc(cc2)Br
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.011g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.206g/mol
Monoisotopic Mass:
372.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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