Home Carboxes 329926-78-5
329926-78-5,MFCD12026028
Catalog No.:AA003J3W
329926-78-5 | 3-Chloro-2-fluoro-4-thiocyanatoaniline
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$58.00   $40.00
- +
5g
98%
in stock  
$172.00   $120.00
- +
25g
98%
in stock  
$572.00   $400.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003J3W
Chemical Name:
3-Chloro-2-fluoro-4-thiocyanatoaniline
CAS Number:
329926-78-5
Molecular Formula:
C7H4ClFN2S
Molecular Weight:
202.6365
MDL Number:
MFCD12026028
IUPAC Name:
(4-amino-2-chloro-3-fluorophenyl) thiocyanate
InChI:
InChI=1S/C7H4ClFN2S/c8-6-5(12-3-10)2-1-4(11)7(6)9/h1-2H,11H2
InChI Key:
RCUGVUCRZOXCHL-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(c(c1Cl)F)N
Properties
Computed Properties
 
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.977g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.631g/mol
Monoisotopic Mass:
201.977g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
3-Chloro-2-fluoro-4-thiocyanatoaniline 
329926-78-5 
AKOS015848716 
RTR-013829 
TR-013829 
4-Amino-2-chloro-3-fluorophenyl thiocyanate 
V5212 
K-7621 
I09-2150 
C7H4ClFN2S 
2-fluoro-3-chloro-4-thiocyanato-aniline 
ACMC-209hxm 
SCHEMBL6564125 
CTK4G9679 
DTXSID00634162 
ANW-27512 
MFCD12026028 
ZINC38537403 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A
Related Products