Home Sulfos Methanesulfonic acid, trifluoro-, 3-nitro-2-[(1-oxobutyl)amino]phenylester

Methanesulfonic acid, trifluoro-, 3-nitro-2-[(1-oxobutyl)amino]phenylester

CAS No.:
500991-98-0
Catalog Number:
AG00I8Y8
Molecular Formula:
C11H11F3N2O6S
Molecular Weight:
356.2750
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00I8Y8
Chemical Name:
Methanesulfonic acid, trifluoro-, 3-nitro-2-[(1-oxobutyl)amino]phenylester
CAS Number:
500991-98-0
Molecular Formula:
C11H11F3N2O6S
Molecular Weight:
356.2750
MDL Number:
MFCD29059352
IUPAC Name:
[2-(butanoylamino)-3-nitrophenyl] trifluoromethanesulfonate
InChI:
InChI=1S/C11H11F3N2O6S/c1-2-4-9(17)15-10-7(16(18)19)5-3-6-8(10)22-23(20,21)11(12,13)14/h3,5-6H,2,4H2,1H3,(H,15,17)
InChI Key:
WJZVMECGCRHDJT-UHFFFAOYSA-N
SMILES:
CCCC(=O)Nc1c(cccc1[N+](=O)[O-])OS(=O)(=O)C(F)(F)F
Properties
Complexity:
539  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.029g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
356.272g/mol
Monoisotopic Mass:
356.029g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties