1,3,4-Oxadiazol-2(3H)-one,5-(3-bromophenyl)- supplier

Name
5-(3-BROMO-PHENYL)-3H-[1,3,4]OXADIAZOL-2-ONE
EINECS
CAS No. 873090-18-7
Article Data4
CAS DataBase
Density 1.853 g/cm³
Solubility
Melting Point 185.6-186.3 °C
Formula C₈H₅BrN₂O₂
Boiling Point
Molecular Weight 241.044
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(3-Bromo-phenyl)-3H-[1,3,4]oxadiazol-2-one;
PSA 58.89000
LogP 1.79240

1,3,4-Oxadiazol-2(3H)-one,5-(3-bromophenyl)- Specification

This chemical is called 1,3,4-Oxadiazol-2(3H)-one, 5-(3-bromophenyl)-, and its systematic name is 5-(3-Bromophenyl)-3H-1,3,4-oxadiazol-2-one. With the molecular formula of C₈H₅BrN₂O₂, its molecular weight is 241.044. The CAS registry number of this chemical is 873090-18-7.

Other characteristics of the 1,3,4-Oxadiazol-2(3H)-one, 5-(3-bromophenyl)- can be summarised as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.638; (4)ACD/LogD (pH 7.4): 0.335; (5)ACD/BCF (pH 5.5): 9.34; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 152.439; (8)ACD/KOC (pH 7.4): 7.574; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.69 Å²; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 50.218 cm³; (15)Molar Volume: 130.063 cm³; (16)Polarizability: 19.908×10^-24cm³; (17)Surface Tension: 59.699 dyne/cm; (18)Density: 1.853 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: c1cc(cc(c1)Br)c2n[nH]c(=O)o2
2.InChI: InChI=1/C8H5BrN2O2/c9-6-3-1-2-5(4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
3.InChIKey: ZVWSHDFGLFCEID-UHFFFAOYAX

Product Name

5-(3-BROMO-PHENYL)-3H-[1,3,4]OXADIAZOL-2-ONE

1,3,4-Oxadiazol-2(3H)-one,5-(3-bromophenyl)- Specification

Related Products

Hot Products