Basic information
- Name:
Nonanoic acid, 2-bromo-
- CAS No.:
2623-83-8
- Molecular Structure:
- Formula:
- C9H17BrO2
- Molecular Weight:
- 237.13
- Synonyms:
- 2-Bromononanoicacid;a-Bromopelargonic acid;
- EINECS:
- 220-080-2
- Density:
- 1.279 g/cm3
- Boiling Point:
- 297.7 °C at 760 mmHg
- Flash Point:
- 133.8 °C
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Specification
The Nonanoic acid, 2-bromo-, with the CAS registry number 2623-83-8, is also known as 2-Bromonanoic acid. Its EINECS registry number is 220-080-2. This chemical's molecular formula is C9H17BrO2 and molecular weight is 237.13. What's more, both its IUPAC name and systematic name are the same which is called 2-Bromononanoic acid.
Physical properties about Nonanoic acid, 2-bromo are: (1)ACD/LogP: 4.04; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 2.18; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.8; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 52.99 cm3; (15)Molar Volume: 185.2 cm3; (16)Polarizability: 21.01×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.279 g/cm3; (19)Flash Point: 133.8 °C; (20)Enthalpy of Vaporization: 59.13 kJ/mol; (21)Boiling Point: 297.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000318 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrC(C(=O)O)CCCCCCC
(2) InChI: InChI=1/C9H17BrO2/c1-2-3-4-5-6-7-8(10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
(3) InChIKey: MELJYLJLJXTLGX-UHFFFAOYAV