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16018-82-9 | Imidodicarbonimidic diamide, N-(4-fluorophenyl)-
CAS No: 16018-82-9 Catalog No: AG001RQQ MDL No:MFCD00175559
Product Description
Catalog Number:
AG001RQQ
Chemical Name:
Imidodicarbonimidic diamide, N-(4-fluorophenyl)-
CAS Number:
16018-82-9
Molecular Formula:
C8H10FN5
Molecular Weight:
195.1969
MDL Number:
MFCD00175559
IUPAC Name:
1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine
InChI:
InChI=1S/C8H10FN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
InChI Key:
NOLAUIXZGNESCX-UHFFFAOYSA-N
SMILES:
N=C(Nc1ccc(cc1)F)NC(=N)N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.201g/mol
Monoisotopic Mass:
195.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Five pseudopolymorphs and a cocrystal of nitrofurantoin. | Acta crystallographica. Section C, Crystal structure communications 20110101 |
| 1-(4-Fluoro-phen-yl)biguanid-1-ium chloride. | Acta crystallographica. Section E, Structure reports online 20101001 |
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