Formula |
C9H13BrN2O3 |
IUPAC Name |
ethyl (4s)-6-(bromomethyl)-4-methyl-2-oxo-3,4-dihydro-1h-pyrimidine-5-carboxylate |
Molecular Mass |
277.115 g·mol−1 |
Heat of Formation |
-564.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.63 ± 1.08 D |
Volume |
268.37 Å 3 |
Surface Area |
245.65 Å 2 |
HOMO Energy |
-9.45 ± 0.55 eV |
LUMO Energy |
-0.90 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (6s)-4-(bromomethyl)-2-keto-6-methyl-3,6-dihydro-1h-pyrimidine-5-carboxylic acid ethyl ester
- (6s)-4-(bromomethyl)-6-methyl-2-oxo-3,6-dihydro-1h-pyrimidine-5-carboxylic acid ethyl ester
- ethyl (6s)-4-(bromomethyl)-6-methyl-2-oxo-3,6-dihydro-1h-pyrimidine-5-carboxylate
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CAS Number(s) |
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InChIKey |
XSNBUBULHHFXMW-YFKPBYRVSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
Br
N
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