AG003VTT

99979-76-7 | 4-(Chloromethyl)-3-methylisoxazole

AG003VTT

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CAS Number	99979-76-7
Catalog Number	AG003VTT(AGN-PC-02R0NV)
Chemical Name	4-(Chloromethyl)-3-methylisoxazole
IUPAC Name	4-(chloromethyl)-3-methyl-1,2-oxazole
InChI	InChI=1S/C5H6ClNO/c1-4-5(2-6)3-8-7-4/h3H,2H2,1H3
InChI Key	ZZXFXHBNCPQBMK-UHFFFAOYSA-N
MDL Number	MFCD08704238
Molecular Formula	C5H6ClNO
Molecular Weight	131.5602
SMILES	CC1C(CCl)=CON=1
Synonyms	99979-76-7, 4-(chloromethyl)-3-methyl-1,2-oxazole, 4-CHLOROMETHYL-3-METHYL-ISOXAZOLE, 4-(Chloromethyl)-3-methylisoxazole, Isoxazole, 4-(chloromethyl)-3-methyl-, SCHEMBL1021669, 4-chloromethyl-3-methylisoxazole, CTK5I0848, DTXSID70604635, ZINC59664634, AKOS006288078, SC-52463, FT-0727519,

Complexity	78.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.014g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	131.559g/mol
Monoisotopic Mass	131.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number