Benzoic acid,5-(chloromethyl)-2-methoxy- (3641-23-4)

The 5-(Chloromethyl)-2-methoxybenzoic acid, with the cas registry number of 3641-23-4, is also known as Benzoic acid, 5-(chloromethyl)-2-methoxy-. This chemical's molecular formula is C₉H₉ClO₃ and formula weight is 200.62. What's more, both its IUPAC name and systematic name are the same which is called 5-(Chloromethyl)-2-methoxybenzoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 49.62 cm³; (9)Molar Volume: 153.6 cm³; (10)Surface Tension: 46.5 dyne/cm; (11)Enthalpy of Vaporization: 63.28 kJ/mol; (12)Vapour Pressure: 1.22E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccc(OC)c(C(=O)O)c1;
(2)InChI: InChI=1/C9H9ClO3/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4H,5H2,1H3,(H,11,12);
(3)InChIKey: LXSPNZGYCRQFSD-UHFFFAOYAP;
(4)Std. InChI: InChI=1S/C9H9ClO3/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4H,5H2,1H3,(H,11,12);
(5)Std. InChIKey: LXSPNZGYCRQFSD-UHFFFAOYSA-N.