Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
7-Amino-2(3H)-benzoxazolone |
EINECS | 462-910-8 |
CAS No. | 81282-60-2 | Density | 1.438 g/cm3 |
PSA | 72.02000 | LogP | 1.28450 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H6N2O2 | Boiling Point | N/A |
Molecular Weight | 150.137 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7-Amino-2-benzoxazolone; |
Article Data | 13 |
The 2(3H)-Benzoxazolone, 7-amino-, with the CAS registry number 81282-60-2, is also known as 7-Amino-2-benzoxazolone. It belongs to the product categories of Amineprimary; Chemical Amines; Amines; Aromatics; Heterocycles. This chemical's molecular formula is C7H6N2O2 and molecular weight is 150.13. What's more, its systematic name is 7-Amino-1, 3-benzoxazol-2(3H)-one.
Physical properties about 2(3H)-Benzoxazolone, 7-amino- are: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.06; (4)ACD/LogD (pH 7.4): -0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.02; (8)ACD/KOC (pH 7.4): 21.91; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 38.52 cm3; (15)Molar Volume: 104.3 cm3; (16)Polarizability: 15.27×10-24 cm3; (17)Surface Tension: 63 dyne/cm; (18)Density: 1.438 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2Oc1c(cccc1N2)N
(2) InChI: InChI=1/C7H6N2O2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,8H2,(H,9,10)
(3) InChIKey: CLCPWTXGFUIRJE-UHFFFAOYAG