791744-05-3
3-氯-4-甲基-异噻唑-5-羧酸
Name
3-氯-4-甲基-异噻唑-5-羧酸
pro_formula
C14 H21 N O
pro_molWeight
219.326
1Identification
【Name】
3-氯-4-甲基-异噻唑-5-羧酸
【CAS】
【MDL】
MFCD18832752
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H21 N O
【pro_molWeight】
219.326
【Inchi】
InChI=1S/C14H21NO/c1-11-7-8-14(2,10-15-11)12-5-4-6-13(9-12)16-3/h4-6,9,11,15H,7-8,10H2,1-3H3/t11-,14-/m1/s1
【InChIKey】
InChIKey=NJDTWQMMLRPAFA-BXUZGUMPSA-N
【SMILES】
C[C@@H]1CC[C@@](CN1)(C)c2cccc(c2)OC
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:2
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-氯-4-甲基-异噻唑-5-羧酸.cml
quick_release
CYCLOBUTANECARBOXAMIDE, 1-AMINO-2-METHYL-, (1R,2S)-
775281-65-7
D-CAMPHOLIC ACID
31147-56-5
2(3H)-FURANONE, DIHYDRO-4,5-DIMETHYL-5-(1-PIPERIDINYLMETHYL)-, CIS-
792849-74-2
SHYOBUNONE
21698-44-2
(+)-CIS-LIMONENE 1,2-EPOXIDE
4680-24-4
3-PIPERIDINEPROPANOIC ACID, 1,3,6-TRIMETHYL-4-OXO-, CIS-
776995-50-7
SuppliersList
Relatedproducts
CYCLOBUTANECARBOXAMIDE, 1-AMINO-2-METHYL-, (1R,2S)-
775281-65-7
D-CAMPHOLIC ACID
31147-56-5
2(3H)-FURANONE, DIHYDRO-4,5-DIMETHYL-5-(1-PIPERIDINYLMETHYL)-, CIS-
792849-74-2
SHYOBUNONE
21698-44-2
(+)-CIS-LIMONENE 1,2-EPOXIDE
4680-24-4
3-PIPERIDINEPROPANOIC ACID, 1,3,6-TRIMETHYL-4-OXO-, CIS-
776995-50-7