Home Nitros Methyl 5-nitro-2-(phenylthio)benzoate

Methyl 5-nitro-2-(phenylthio)benzoate

CAS No.:
361336-72-3
Catalog Number:
AG00D5AN
Molecular Formula:
C14H11NO4S
Molecular Weight:
289.3064
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$392
- +
1g
95%
1 week
United States
$924
- +
Product Description
Catalog Number:
AG00D5AN
Chemical Name:
Methyl 5-nitro-2-(phenylthio)benzoate
CAS Number:
361336-72-3
Molecular Formula:
C14H11NO4S
Molecular Weight:
289.3064
MDL Number:
MFCD01566295
IUPAC Name:
methyl 5-nitro-2-phenylsulfanylbenzoate
InChI:
InChI=1S/C14H11NO4S/c1-19-14(16)12-9-10(15(17)18)7-8-13(12)20-11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
XGSXPBUMCIDPQR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1Sc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.041g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.305g/mol
Monoisotopic Mass:
289.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties