Basic information
- CAS
14757-98-3- Standard SMILES
CCOC(=O)C1=C(CBr)NC(=O)N[C@H]1C- InChIKey
XSNBUBULHHFXMW-YFKPBYRVSA-N- Molecular formula
- C9H13BrN2O3
- Average molar mass
- 277.11 g/mol
- Monoisotopic mass
- 276.01095
Names & identifiers
- Preferred name
- ethyl (4S)-6-(bromomethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- IUPAC
- ethyl (4S)-6-(bromomethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- English name
- Ethyl 6-(bromomethyl)-4-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- Molecular formula
- C9H13BrN2O3
- Molecular weight
- 277.12
Names & synonyms
Ethyl 6-(bromomethyl)-2-hydroxy-4-methyl-1,4-dihydropyrimidine-5-carboxylate(S)-Ethyl 6-(bromomethyl)-4-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateDTXSID90933151ethyl (4S)-6-(bromomethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylateEthyl (4S)-6-(bromomethyl)-2-hydroxy-4-methyl-1,4-dihydropyrimidine-5-carboxylateEthyl 6-(bromomethyl)-4-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate5-Pyrimidinecarboxylic acid, 6-(bromomethyl)-1,2,3,4-tetrahydro-4-methyl-2-oxo-, ethyl ester
Database identifiers
- CAS
14757-98-3- PubChem CID
- 736682
- DTXSID
DTXSID90933151
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 148 °C · 148 °C
- Boiling point
- 327 · 327.0±42.0 °C(Predicted)
- Density
- 1.438 · 1.438±0.06 g/cm3(Predicted)
- pka
- 11.2 · 11.20±0.70(Predicted)
Chemistry & industry
Suppliers11 total
北京奥龙飞科技有限公司—
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
UKRORGSYN-BB[email protected]
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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