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CAS No.: | 75207-72-6 |
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Name: | 3-Fluorobenzamidine hydrochloride |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H7FN2.HCl |
Molecular Weight: | 174.605 |
Synonyms: | Benzenecarboximidamide,3-fluoro-, monohydrochloride (9CI);3-Fluorobenzamidine hydrochloride;m-Fluorobenzamidinemonohydrochloride; |
Boiling Point: | 253 °C at 760 mmHg |
Flash Point: | 106.8 °C |
PSA: | 49.87000 |
LogP: | 2.71180 |
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This chemical is called 3-Fluorobenzamidine hydrochloride, and it can also be named as benzenecarboximidamide, 3-fluoro-, hydrochloride (1:1). With the molecular formula of C7H7FN2.HCl, its molecular weight is 174.60. The CAS registry number of this chemical is 75207-72-6.
Other characteristics of the 3-Fluorobenzamidine hydrochloride can be summarised as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 49.87 Å2; (11)Flash Point: 106.8 °C; (12)Enthalpy of Vaporization: 50.03 kJ/mol; (13)Boiling Point: 253 °C at 760 mmHg; (14)Vapour Pressure: 0.0148 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.N=C(N)c1cc(F)ccc1
2.InChI: InChI=1/C7H7FN2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H3,9,10);1H
3.InChIKey: KISQHILAOJSVET-UHFFFAOYAU