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820245-81-6 | 3-[2-(4-Bromo-phenyl)-7-methyl-imidazo[1,2-a]-pyridin-3-yl]-acrylic acid
CAS No: 820245-81-6 Catalog No: AG01EXJI MDL No:
Product Description
Catalog Number:
AG01EXJI
Chemical Name:
3-[2-(4-Bromo-phenyl)-7-methyl-imidazo[1,2-a]-pyridin-3-yl]-acrylic acid
CAS Number:
820245-81-6
Molecular Formula:
C17H13BrN2O2
Molecular Weight:
357.2013
IUPAC Name:
3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C17H13BrN2O2/c1-11-8-9-20-14(6-7-16(21)22)17(19-15(20)10-11)12-2-4-13(18)5-3-12/h2-10H,1H3,(H,21,22)
InChI Key:
VRMAQRIMGPMGBC-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1c(nc2n1ccc(c2)C)c1ccc(cc1)Br
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.016g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.207g/mol
Monoisotopic Mass:
356.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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