Home Carbonyls 4-Methoxycarbonyl-2-fluorophenylisothiocyanate

4-Methoxycarbonyl-2-fluorophenylisothiocyanate

CAS No.:
1027513-36-5
Catalog Number:
AG01F9YX
Molecular Formula:
C9H6FNO2S
Molecular Weight:
211.2128
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$489
- +
5g
95%
1 week
United States
$1392
- +
Product Description
Catalog Number:
AG01F9YX
Chemical Name:
4-Methoxycarbonyl-2-fluorophenylisothiocyanate
CAS Number:
1027513-36-5
Molecular Formula:
C9H6FNO2S
Molecular Weight:
211.2128
MDL Number:
MFCD09800725
IUPAC Name:
methyl 3-fluoro-4-isothiocyanatobenzoate
InChI:
InChI=1S/C9H6FNO2S/c1-13-9(12)6-2-3-8(11-5-14)7(10)4-6/h2-4H,1H3
InChI Key:
OFQYGASRCYMAOF-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1F)C(=O)OC
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.21g/mol
Monoisotopic Mass:
211.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties