530144-72-0
TERT-BUTYL 4-(BROMOMETHYL)-1H-PYRAZOLE-1-CARBOXYLATE
NameTERT-BUTYL 4-(BROMOMETHYL)-1H-PYRAZOLE-1-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 4-(BROMOMETHYL)-1H-PYRAZOLE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD18837735
【English Synonyms】
【Formula】
C9 H13 Br N2 O2
【MolWeight】
261.118
【Inchi】
InChI=1S/C9H13BrN2O2/c1-9(2,3)14-8(13)12-6-7(4-10)5-11-12/h5-6H,4H2,1-3H3
【InChIKey】
InChIKey=TVZQQCAMWMLAKR-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1cc(cn1)CBr
【MOL File】
TERT-BUTYL 4-(BROMOM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 4-(BROMOMETHYL)-1H-PYRAZOLE-1-CARBOXYLATE.cml