Home Halogens 2-chloro-N-(2,2-difluoroethyl)-5-fluoropyrimidin-4-amine

2-chloro-N-(2,2-difluoroethyl)-5-fluoropyrimidin-4-amine

CAS No.:
1550419-78-7
Catalog Number:
AG01C06V
Molecular Formula:
C6H5ClF3N3
Molecular Weight:
211.5722
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Product Description
Catalog Number:
AG01C06V
Chemical Name:
2-chloro-N-(2,2-difluoroethyl)-5-fluoropyrimidin-4-amine
CAS Number:
1550419-78-7
Molecular Formula:
C6H5ClF3N3
Molecular Weight:
211.5722
MDL Number:
MFCD24202719
IUPAC Name:
2-chloro-N-(2,2-difluoroethyl)-5-fluoropyrimidin-4-amine
InChI:
InChI=1S/C6H5ClF3N3/c7-6-12-1-3(8)5(13-6)11-2-4(9)10/h1,4H,2H2,(H,11,12,13)
InChI Key:
MRBYQKVHLLUQMD-UHFFFAOYSA-N
SMILES:
FC(CNc1nc(Cl)ncc1F)F
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.012g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.572g/mol
Monoisotopic Mass:
211.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties