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CAS No.: | 850589-37-6 |
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Name: | 3-Chloro-4-(hydrazinocarbonyl)benzeneboronic acid |
Molecular Structure: | |
Formula: | C7H8BClN2O3 |
Molecular Weight: | 214.41 |
Synonyms: | 4-Borono-2-chlorobenzohydrazide;3-Chloro-4-hydrazinecarbonylphenylboronic acid; |
Density: | 1.49 g/cm3 |
Melting Point: | 144-150 °C |
Hazard Symbols: | Xi |
PSA: | 95.58000 |
LogP: | -0.28550 |
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The systematic name of 3-Chloro-4-(hydrazinocarbonyl)benzeneboronic acid is [3-chloro-4-(hydrazinecarbonyl)phenyl]boronic acid. With the CAS registry number 850589-37-6, it is also named as 4-Borono-2-chlorobenzohydrazide. The product's categories are Blocks; Boronic Acids; Carboxes. In addition, its molecular formula is C7H8BClN2O3 and its molecular weight is 214.41.
The other characteristics of 3-Chloro-4-(hydrazinocarbonyl)benzeneboronic acid can be summarized as: (1) # of Rule of 5 Violations: 1; (2)#H bond acceptors: 5; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 95.58 Å2; (6)Index of Refraction: 1.618; (7)Molar Refractivity: 50.13 cm3; (8)Molar Volume: 143 cm3; (9)Polarizability: 19.87×10-24cm3; (10)Surface Tension: 67.6 dyne/cm; (11)Density: 1.49 g/cm3; (12)Melting Point: 144-150 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: B(c1ccc(c(c1)Cl)C(=O)NN)(O)O
(2)InChI: InChI=1/C7H8BClN2O3/c9-6-3-4(8(13)14)1-2-5(6)7(12)11-10/h1-3,13-14H,10H2,(H,11,12)
(3)InChIKey: GGSCPZNIWIKQJZ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H8BClN2O3/c9-6-3-4(8(13)14)1-2-5(6)7(12)11-10/h1-3,13-14H,10H2,(H,11,12)
(5)Std. InChIKey: GGSCPZNIWIKQJZ-UHFFFAOYSA-N