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CAS No.: | 883231-23-0 |
---|---|
Name: | tert-Butyl (5-bromopyrimidin-2-yl)carbamate |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H12BrN3O2 |
Molecular Weight: | 274.12 |
Synonyms: | carbamic acid, N-(5-bromo-2-pyrimidinyl)-, 1,1-dimethylethyl ester;(5-Bromo-pyrimidin-2-yl)-carbamic acid tert-butyl ester; |
Density: | 1.513 g/cm3 |
PSA: | 67.60000 |
LogP: | 2.59970 |
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The CAS register number of tert-Butyl (5-bromopyrimidin-2-yl)carbamate is 883231-23-0. It also can be called as carbamic acid, N-(5-bromo-2-pyrimidinyl)-, 1,1-dimethylethyl ester and the IUPAC name about this chemical is tert-butyl N-(5-bromopyrimidin-2-yl)carbamate. The molecular formula about this chemical is C9H12BrN3O2 and molecular weight is 274.12.
Physical properties about tert-Butyl (5-bromopyrimidin-2-yl)carbamate are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 9.48; (5)ACD/BCF (pH 7.4): 9.48; (6)ACD/KOC (pH 5.5): 174.13; (7)ACD/KOC (pH 7.4): 174.05; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 64.11Å2; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 60 cm3; (14)Molar Volume: 181 cm3; (15)Polarizability: 23.78x10-24cm3; (16)Surface Tension: 51 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1ncc(Br)cn1
(2)InChI: InChI=1/C9H12BrN3O2/c1-9(2,3)15-8(14)13-7-11-4-6(10)5-12-7/h4-5H,1-3H3,(H,11,12,13,14)
(3)InChIKey: MQQCCIJHZDEZBW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H12BrN3O2/c1-9(2,3)15-8(14)13-7-11-4-6(10)5-12-7/h4-5H,1-3H3,(H,11,12,13,14)
(5)Std. InChIKey: MQQCCIJHZDEZBW-UHFFFAOYSA-N