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355423-16-4

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Basic Information
CAS No.: 355423-16-4
Name: BENZOIC ACID, 4-BROMO-2-FLUORO-5-NITRO-
Molecular Structure:
Molecular Structure of 355423-16-4 (BENZOIC ACID, 4-BROMO-2-FLUORO-5-NITRO-)
Formula: C7H3BrFNO4
Molecular Weight: 264.01
Synonyms: 4-Bromo-2-fluoro-5-nitrobenzoic acid;
Density: 1.967 g/cm3
Boiling Point: 334.044 °C at 760 mmHg
Flash Point: 155.824 °C
PSA: 83.12000
LogP: 2.71780
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Specification

The Benzoicacid, 4-bromo-2-fluoro-5-nitro- has the CAS registry number 355423-16-4. This chemical's molecular formula is C7H3BrFNO4 and molecular weight is 264.01. What's more, its systematic name is 4-Bromo-2-fluoro-5-nitrobenzoic acid.

Physical properties of Benzoicacid, 4-bromo-2-fluoro-5-nitro- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (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: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.12 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 47.412 cm3; (15)Molar Volume: 134.199 cm3; (16)Polarizability: 18.796×10-24 cm3; (17)Surface Tension: 66.001 dyne/cm; (18)Density: 1.967 g/cm3; (19)Flash Point: 155.824 °C; (20)Enthalpy of Vaporization: 60.9 kJ/mol; (21)Boiling Point: 334.044 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(c(F)cc1Br)C(=O)O
(2)InChI: InChI=1/C7H3BrFNO4/c8-4-2-5(9)3(7(11)12)1-6(4)10(13)14/h1-2H,(H,11,12)
(3)InChIKey: OGSIBDAVDNXXMS-UHFFFAOYSA-N