Structure Info
- Chemspace ID
- CSMB00000101446 (Enamine MADE)
- CAS
- 1044768-00-4
- MFCD
- MFCD11046981
- IUPAC Name
- 4-chloro-2-methyl-5-nitropyrimidine
- Mol formula
- C5H4ClN3O2
- Mol weight
- 174 Da
- Catalog Number(s)
- 2764AJ, 70R0426, A089000471, A538381, AA008Z72, AE18762, AG008Z9U, AR008ZYU, ArZ-UP129303, ArZ-UP496825, BB4LS-70R0426, BB4LS-BD585866, BBV-38324446, BD585866, BS-51194, C990530, CD11360542, CM484845, CS-0152827, CSC000101446, D701854, D971137, E76746, E76746-0.1G, E76746-0.25G, F689701, FCH887566, HY-W100185, JH606187, L11135, PBMR205764, SAB-052204, SY114090, URB76800, ZXC098426, ZXC212458
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.37
- Heavy atoms count
- 11
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 69
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00000101446
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