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Prt4165

CAS No.:
31083-55-3
Catalog Number:
AG00322F
Molecular Formula:
C15H9NO2
Molecular Weight:
235.2375
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$119
- +
10mg
≥98%
1 week
United States
$151
- +
25mg
≥98%
1 week
United States
$257
- +
50mg
98%
1 week
United States
$307
- +
100mg
98%
1 week
United States
$418
- +
Product Description
Catalog Number:
AG00322F
Chemical Name:
Prt4165
CAS Number:
31083-55-3
Molecular Formula:
C15H9NO2
Molecular Weight:
235.2375
MDL Number:
MFCD00435709
IUPAC Name:
2-(pyridin-3-ylmethylidene)indene-1,3-dione
InChI:
InChI=1S/C15H9NO2/c17-14-11-5-1-2-6-12(11)15(18)13(14)8-10-4-3-7-16-9-10/h1-9H
InChI Key:
OMHZFEWYVFWVLI-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2cccnc2)C(=O)c2c1cccc2
UNII:
J625FJL5DX
NSC Number:
600157
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.063g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.242g/mol
Monoisotopic Mass:
235.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties