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| CAS No.: | 18637-02-0 |
|---|---|
| Name: | 2-CHLORO-BENZAMIDINE |
| Molecular Structure: | |
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| Formula: | C7H8Cl2N2 |
| Molecular Weight: | 191.06 |
| Synonyms: | 2-Chlorobenzamidine hydrochloride; |
| Boiling Point: | 250.3 °C at 760 mmHg |
| Flash Point: | 105.2 °C |
| PSA: | 49.87000 |
| LogP: | 3.22610 |
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Specification
The Benzenecarboximidamide, 2-chloro-, hydrochloride (1:1), with the CAS registry number 18637-02-0, is also known as 2-Chlorobenzamidine hydrochloride. This chemical's molecular formula is C7H8Cl2N2 and molecular weight is 191.06. What's more, its IUPAC name is 2-Chlorobenzenecarboximidamide hydrochloride.
Physical properties about Benzenecarboximidamide, 2-chloro-, hydrochloride (1:1) are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.17; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 15.6 Å2; (13)Flash Point: 105.2 °C; (14)Enthalpy of Vaporization: 48.76 kJ/mol; (15)Boiling Point: 250.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0218 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1C(=[N@H])N.Cl
(2) InChI: InChI=1/C7H7ClN2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H3,9,10);1H
(3) InChIKey: KVMVAFKWEWLDPU-UHFFFAOYAV