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1197377-47-1 | Benzonitrile, 4-(3-amino-1,2,4-triazin-6-yl)-2-fluoro-
CAS No: 1197377-47-1 Catalog No: AG000PKT MDL No:
Product Description
Catalog Number:
AG000PKT
Chemical Name:
Benzonitrile, 4-(3-amino-1,2,4-triazin-6-yl)-2-fluoro-
CAS Number:
1197377-47-1
Molecular Formula:
C10H6FN5
Molecular Weight:
215.1865
IUPAC Name:
4-(3-amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile
InChI:
InChI=1S/C10H6FN5/c11-8-3-6(1-2-7(8)4-12)9-5-14-10(13)16-15-9/h1-3,5H,(H2,13,14,16)
InChI Key:
JXQHTMHBDHVPDQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)c1cnc(nn1)N
EC Number:
811-458-3
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.191g/mol
Monoisotopic Mass:
215.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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