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1374829-47-6

1374829-47-6 | 4-Pyrimidinamine, 2-chloro-N-ethyl-5-(trifluoromethyl)-

CAS No: 1374829-47-6 Catalog No: AG0013CM MDL No:

Product Description

Catalog Number:
AG0013CM
Chemical Name:
4-Pyrimidinamine, 2-chloro-N-ethyl-5-(trifluoromethyl)-
CAS Number:
1374829-47-6
Molecular Formula:
C7H7ClF3N3
Molecular Weight:
225.5988
IUPAC Name:
4-chloro-N-ethyl-5-(trifluoromethyl)pyrimidin-2-amine
InChI:
InChI=1S/C7H7ClF3N3/c1-2-12-6-13-3-4(5(8)14-6)7(9,10)11/h3H,2H2,1H3,(H,12,13,14)
InChI Key:
DYSAONBCSVIMQV-UHFFFAOYSA-N
SMILES:
CCNc1nc(Cl)ncc1C(F)(F)F

Properties

Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.599g/mol
Monoisotopic Mass:
225.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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