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1000575-96-1 | 2-Acetyl-5-cyanimino-4,5-dihydro-4-(3-fluorophenyl)-1,3,4-thiadiazole
CAS No: 1000575-96-1 Catalog No: AG01F510 MDL No:
Product Description
Catalog Number:
AG01F510
Chemical Name:
2-Acetyl-5-cyanimino-4,5-dihydro-4-(3-fluorophenyl)-1,3,4-thiadiazole
CAS Number:
1000575-96-1
Molecular Formula:
C11H7FN4OS
Molecular Weight:
262.2629
IUPAC Name:
[5-acetyl-3-(3-fluorophenyl)-1,3,4-thiadiazol-2-ylidene]cyanamide
InChI:
InChI=1S/C11H7FN4OS/c1-7(17)10-15-16(11(18-10)14-6-13)9-4-2-3-8(12)5-9/h2-5H,1H3
InChI Key:
GUBIOUVTTNWHFX-UHFFFAOYSA-N
SMILES:
N#C/N=c/1\sc(nn1c1cccc(c1)F)C(=O)C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.262g/mol
Monoisotopic Mass:
262.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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