Home Other Building Blocks Coumarin307

Coumarin307

CAS No.:
55804-70-1
Catalog Number:
AG01E4QL
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01E4QL
Chemical Name:
Coumarin307
CAS Number:
55804-70-1
MDL Number:
MFCD00051347
IUPAC Name:
7-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one
InChI:
InChI=1S/C13H12F3NO2/c1-3-17-10-6-11-8(4-7(10)2)9(13(14,15)16)5-12(18)19-11/h4-6,17H,3H2,1-2H3
InChI Key:
NRZJOTSUPLCYDJ-UHFFFAOYSA-N
EC Number:
259-828-8
NSC Number:
338966
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.082g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
271.239g/mol
Monoisotopic Mass:
271.082g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
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