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1374507-24-0 | 1,3-Benzenediamine, N1-[2-chloro-5-(trifluoromethyl)-4-pyrimidinyl]-
CAS No: 1374507-24-0 Catalog No: AG0013AQ MDL No:
Product Description
Catalog Number:
AG0013AQ
Chemical Name:
1,3-Benzenediamine, N1-[2-chloro-5-(trifluoromethyl)-4-pyrimidinyl]-
CAS Number:
1374507-24-0
Molecular Formula:
C11H8ClF3N4
Molecular Weight:
288.6562
IUPAC Name:
3-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]benzene-1,3-diamine
InChI:
InChI=1S/C11H8ClF3N4/c12-10-17-5-8(11(13,14)15)9(19-10)18-7-3-1-2-6(16)4-7/h1-5H,16H2,(H,17,18,19)
InChI Key:
RGIRDBCYGGJHRC-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Nc1nc(Cl)ncc1C(F)(F)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.658g/mol
Monoisotopic Mass:
288.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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