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1374507-25-1

1374507-25-1 | 2-Propenamide, N-[3-[[2-chloro-5-(trifluoromethyl)-4-pyrimidinyl]amino]phenyl]-

CAS No: 1374507-25-1 Catalog No: AG0013AP MDL No:MFCD28965167

Product Description

Catalog Number:
AG0013AP
Chemical Name:
2-Propenamide, N-[3-[[2-chloro-5-(trifluoromethyl)-4-pyrimidinyl]amino]phenyl]-
CAS Number:
1374507-25-1
Molecular Formula:
C14H10ClF3N4O
Molecular Weight:
342.7036
MDL Number:
MFCD28965167
IUPAC Name:
N-[3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
InChI:
InChI=1S/C14H10ClF3N4O/c1-2-11(23)20-8-4-3-5-9(6-8)21-12-10(14(16,17)18)7-19-13(15)22-12/h2-7H,1H2,(H,20,23)(H,19,21,22)
InChI Key:
AXMHVOLJINONIM-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cccc(c1)Nc1nc(Cl)ncc1C(F)(F)F

Properties

Complexity:
435  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.05g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
342.706g/mol
Monoisotopic Mass:
342.05g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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