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| CAS No.: | 81282-60-2 |
|---|---|
| Name: | 2(3H)-Benzoxazolone,7-amino-(9CI) |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C7H6N2O2 |
| Molecular Weight: | 150.137 |
| Synonyms: | 7-Amino-2-benzoxazolone; |
| EINECS: | 462-910-8 |
| Density: | 1.438 g/cm3 |
| PSA: | 72.02000 |
| LogP: | 1.28450 |
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- Total:22 Page 1 of 1 1
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Specification
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