945756-48-9
[4-(2-CHLORO-PYRIMIDIN-4-YL)-PHENYL]-CARBAMIC ACID TERT-BUTYL ESTER
Name[4-(2-CHLORO-PYRIMIDIN-4-YL)-PHENYL]-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
[4-(2-CHLORO-PYRIMIDIN-4-YL)-PHENYL]-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09861392
【English Synonyms】
【Formula】
C15 H16 Cl N3 O2
【MolWeight】
305.763
【Inchi】
InChI=1S/C15H16ClN3O2/c1-15(2,3)21-14(20)18-11-6-4-10(5-7-11)12-8-9-17-13(16)19-12/h4-9H,1-3H3,(H,18,20)
【InChIKey】
InChIKey=HWGCVNRDFBNALD-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)Nc1ccc(cc1)c2ccnc(n2)Cl
【MOL File】
[4-(2-CHLORO-PYRIMID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
[4-(2-CHLORO-PYRIMIDIN-4-YL)-PHENYL]-CARBAMIC ACID TERT-BUTYL ESTER.cml