Basic information
- CAS
1199773-83-5- Standard SMILES
CC(C)(C)OC(=O)CCn1cc(Br)cn1- InChIKey
OXELZKLIHFBQDK-UHFFFAOYSA-N- Molecular formula
- C10H15BrN2O2
- Average molar mass
- 275.14 g/mol
- Monoisotopic mass
- 274.03169
Names & identifiers
- Preferred name
- tert-Butyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate
- IUPAC
- tert-butyl 3-(4-bromopyrazol-1-yl)propanoate
- English name
- tert-butyl 3-(4-broMo-1H-pyrazol-1-yl)propanoate
- Molecular formula
- C10H15BrN2O2
- Molecular weight
- 275.14
Names & synonyms
tert-Butyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate1199773-83-5tert-butyl 3-(4-bromopyrazol-1-yl)propanoateSCHEMBL23321164MFCD13193180DB-371851H29195A1-277161H-Pyrazole-1-propanoic acid, 4-bromo-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1199773-83-5- PubChem CID
- 112694472
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Chemistry & industry
Suppliers5 total
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
苏州西特罗生物医药科技有限公司2921645477 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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