1315361-99-9
2-(4-BROMO-PHENYL)-6-CHLORO-PYRIMIDINE-4-CARBOXYLIC ACID
Name2-(4-BROMO-PHENYL)-6-CHLORO-PYRIMIDINE-4-CARBOXYLIC ACID
FormulaC11 H6 Br Cl N2 O2
1Identification
【Name】
2-(4-BROMO-PHENYL)-6-CHLORO-PYRIMIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD17014809
【English Synonyms】
【Formula】
C11 H6 Br Cl N2 O2
【MolWeight】
313.537
【Inchi】
InChI=1S/C11H6BrClN2O2/c12-7-3-1-6(2-4-7)10-14-8(11(16)17)5-9(13)15-10/h1-5H,(H,16,17)
【InChIKey】
InChIKey=LZXFWXOFFCDBBQ-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2nc(cc(n2)Cl)C(=O)O)Br
【MOL File】
2-(4-BROMO-PHENYL)-6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-BROMO-PHENYL)-6-CHLORO-PYRIMIDINE-4-CARBOXYLIC ACID.cml