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30530-42-8 | 1,3,5-Triazine-2,4-diamine, 6-(2-fluorophenyl)-
CAS No: 30530-42-8 Catalog No: AG0030FO MDL No:MFCD04973088
Product Description
Catalog Number:
AG0030FO
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-(2-fluorophenyl)-
CAS Number:
30530-42-8
Molecular Formula:
C9H8FN5
Molecular Weight:
205.1917
MDL Number:
MFCD04973088
IUPAC Name:
6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C9H8FN5/c10-6-4-2-1-3-5(6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChI Key:
PWZNTESZSJQVGW-UHFFFAOYSA-N
SMILES:
Nc1nc(N)nc(n1)c1ccccc1F
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.196g/mol
Monoisotopic Mass:
205.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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