873000-75-0
4-ISOXAZOLECARBOXYLIC ACID, 4-(4-CHLOROPHENYL)-4,5-DIHYDRO-3-METHYL-, (+)-
Name4-ISOXAZOLECARBOXYLIC ACID, 4-(4-CHLOROPHENYL)-4,5-DIHYDRO-3-METHYL-, (+)-
1Identification
【Name】
4-ISOXAZOLECARBOXYLIC ACID, 4-(4-CHLOROPHENYL)-4,5-DIHYDRO-3-METHYL-, (+)-
【CAS】
【MDL】
MFCD17018412
【English Synonyms】
【Formula】
C11 H10 Cl N O3
【MolWeight】
239.657
【Inchi】
InChI=1S/C11H10ClNO3/c1-7-11(10(14)15,6-16-13-7)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,14,15)
【InChIKey】
InChIKey=QKUUEXJXZGCQFN-UHFFFAOYSA-N
【SMILES】
CC1=NOCC1(c2ccc(cc2)Cl)C(=O)O
【MOL File】
4-ISOXAZOLECARBOXYLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-ISOXAZOLECARBOXYLIC ACID, 4-(4-CHLOROPHENYL)-4,5-DIHYDRO-3-METHYL-, (+)-.cml