55983-75-0
1-(3-CHLORO-PHENYL)-5-METHOXY-1H-PYRAZOLE-3-CARBOXYLIC ACID
Name1-(3-CHLORO-PHENYL)-5-METHOXY-1H-PYRAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
1-(3-CHLORO-PHENYL)-5-METHOXY-1H-PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16547225
【English Synonyms】
【Formula】
C11 H9 Cl N2 O3
【MolWeight】
252.656
【Inchi】
InChI=1S/C11H9ClN2O3/c1-17-10-6-9(11(15)16)13-14(10)8-4-2-3-7(12)5-8/h2-6H,1H3,(H,15,16)
【InChIKey】
InChIKey=DVXXJWZOTJPMPI-UHFFFAOYSA-N
【SMILES】
COc1cc(nn1c2cccc(c2)Cl)C(=O)O
【MOL File】
1-(3-CHLORO-PHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-CHLORO-PHENYL)-5-METHOXY-1H-PYRAZOLE-3-CARBOXYLIC ACID.cml