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1357155-88-4

1357155-88-4 | (2E)-1-{2-methylimidazo[1,2-a]pyridin-3-yl}-3-(4-nitrophenyl)prop-2-en-1-one

CAS No: 1357155-88-4 Catalog No: AG00IP4J MDL No:MFCD02186623

Product Description

Catalog Number:
AG00IP4J
Chemical Name:
(2E)-1-{2-methylimidazo[1,2-a]pyridin-3-yl}-3-(4-nitrophenyl)prop-2-en-1-one
CAS Number:
1357155-88-4
Molecular Formula:
C17H13N3O3
Molecular Weight:
307.3034
MDL Number:
MFCD02186623
IUPAC Name:
1-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H13N3O3/c1-12-17(19-11-3-2-4-16(19)18-12)15(21)10-7-13-5-8-14(9-6-13)20(22)23/h2-11H,1H3
InChI Key:
YFIXKMRGCWOODH-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)nc2n1cccc2)/C=C/c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.096g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.309g/mol
Monoisotopic Mass:
307.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.1  

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