Basic information
- CAS
40227-54-1- Standard SMILES
Cn1nc(Cl)c2ccccc2c1=O- InChIKey
INENUUSXTXNSFV-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.0246905
Names & identifiers
- Preferred name
- 1(2H)-Phthalazinone, 4-chloro-2-methyl-
- IUPAC
- 4-chloro-2-methylphthalazin-1-one
- English name
- 4-chloro-2-methyl-1(2H)-phthalazinone
- Molecular formula
- C9H7ClN2O
- Molecular weight
- 194.61768
Names & synonyms
40227-54-11(2H)-Phthalazinone, 4-chloro-2-methyl-DTXSID70353373RefChem:211613DTXCID203044364-Chloro-2-methylphthalazin-1(2H)-one4-chloro-2-methylphthalazin-1-one4-chloro-2-methyl-1(2H)-phthalazinoneChemDiv1_0072712-methyl-4-chlorophthalazoneSCHEMBL17559135SCHEMBL31091769
Show more names
HMS607K11AKOS000528641DB-153762ST50339338AG-690/34449037SR-01000461578SR-01000461578-1
Database identifiers
- CAS
40227-54-1- PubChem CID
- 738656
- DTXSID
DTXSID70353373
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 264
Chemistry & industry
Suppliers2 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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