Home Carbonyls 4-Ethoxycarbonyl-2-fluorophenylisothiocyanate

4-Ethoxycarbonyl-2-fluorophenylisothiocyanate

CAS No.:
1027513-39-8
Catalog Number:
AG01FA7K
Molecular Formula:
C10H8FNO2S
Molecular Weight:
225.2394
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$424
- +
5g
98%
1 week
United States
$1191
- +
25g
98%
1 week
United States
$3455
- +
Product Description
Catalog Number:
AG01FA7K
Chemical Name:
4-Ethoxycarbonyl-2-fluorophenylisothiocyanate
CAS Number:
1027513-39-8
Molecular Formula:
C10H8FNO2S
Molecular Weight:
225.2394
MDL Number:
MFCD09800726
IUPAC Name:
ethyl 3-fluoro-4-isothiocyanatobenzoate
InChI:
InChI=1S/C10H8FNO2S/c1-2-14-10(13)7-3-4-9(12-6-15)8(11)5-7/h3-5H,2H2,1H3
InChI Key:
GXMLTUFHGQXIEO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)F)N=C=S
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.026g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.237g/mol
Monoisotopic Mass:
225.026g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties