Basic information
- CAS
933685-95-1- Standard SMILES
O=C(O)Cc1cnc(Cl)nc1Cl- InChIKey
KZWODZCUDKZFSX-UHFFFAOYSA-N- Molecular formula
- C6H4Cl2N2O2
- Average molar mass
- 207.01 g/mol
Names & identifiers
- Preferred name
- 2-(2,4-Dichloropyrimidin-5-yl)acetic acid
- IUPAC
- 2-(2,4-dichloropyrimidin-5-yl)acetic acid
- English name
- 5-PyriMidineacetic acid, 2,4-dichloro-
- Molecular formula
- C6H4Cl2N2O2
- Molecular weight
- 207.01416
Names & synonyms
2-(2,4-dichloropyrimidin-5-yl)acetic acid933685-95-1SCHEMBL14044902,4-Dichloro-5-pyrimidineacetic acidAKOS015892501SB592942-(2,4-dichloropyrimidin-5-yl)aceticacidDB-392038EN300-1492525-PyriMidineacetic acid, 2,4-dichloro-(2,4-dichloro-5-pyrimidinyl)acetic Acid(2,4-Dichloro-pyrimidin-5-yl)-acetic acid
Database identifiers
- CAS
933685-95-1
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 378.1 · 378.1±27.0 °C(Predicted)
- Density
- 1.627 · 1.627±0.06 g/cm3(Predicted)
- pka
- 3.41 · 3.41±0.10(Predicted)
Chemistry & industry
Suppliers2 total
南京美韬医药科技有限公司[email protected] · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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