Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

1H-Indole-7-carboxylicacid, 5-bromo-, methyl ester

Related Products

Hot Products

Name

1H-Indole-7-carboxylicacid, 5-bromo-, methyl ester

EINECS N/A
CAS No. 860624-89-1 Density 1.629 g/cm3
PSA 42.09000 LogP 2.71700
Solubility N/A Melting Point N/A
Formula C10H8BrNO2 Boiling Point 382.6 °C at 760 mmHg
Molecular Weight 254.083 Flash Point 185.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 860624-89-1 (5-BROMO INDOLE-7-CARBOXYLIC ACID METHYL ESTER) Hazard Symbols N/A
Synonyms

5-Bromo-1H-indole-7-carboxylicacid methyl ester;Methyl 5-bromo-1H-indole-7-carboxylate;5-Bromoindole-7-carboxylic acid methyl ester;Methyl 5-bromoindole-7-carboxylate;

Article Data 10

1H-Indole-7-carboxylicacid, 5-bromo-, methyl ester Specification

The systematic name of 1H-Indole-7-carboxylicacid, 5-bromo-, methyl ester is Methyl 5-bromo-1H-indole-7-carboxylate. With the CAS registry number 860624-89-1, it is also named as 5-Bromoindole-7-carboxylic acid methyl ester. In addition, its molecular formula is C10H8BrNO2 and its molecular weight is 254.08.

The other characteristics of 1H-Indole-7-carboxylicacid, 5-bromo-, methyl ester can be summarized as: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.12; (6)ACD/BCF (pH 7.4): 92.12; (7)ACD/KOC (pH 5.5): 886.53; (8)ACD/KOC (pH 7.4): 886.53; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.09 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 57.99 cm3; (15)Molar Volume: 155.9 cm3; (16)Polarizability: 22.98×10-24cm3; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.629 g/cm3; (19)Flash Point: 185.2 °C; (20)Enthalpy of Vaporization: 63.1 kJ/mol; (21)Boiling Point: 382.6 °C at 760 mmHg; (22)Vapour Pressure: 4.68E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: COC(=O)c1cc(cc2c1[nH]cc2)Br
(2)InChI: InChI=1/C10H8BrNO2/c1-14-10(13)8-5-7(11)4-6-2-3-12-9(6)8/h2-5,12H,1H3
(3)InChIKey: YSFZPMNRVJTVIV-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-7(11)4-6-2-3-12-9(6)8/h2-5,12H,1H3
(5)Std. InChIKey: YSFZPMNRVJTVIV-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 860624-89-1