AG003I0L

25629-50-9 | 3-(2-Chlorophenyl)-5-Methylisoxazole-4-Carbonyl Chloride

AG003I0L

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CAS Number	25629-50-9
Catalog Number	AG003I0L(AGN-PC-0JM1ZZ)
Chemical Name	3-(2-Chlorophenyl)-5-Methylisoxazole-4-Carbonyl Chloride
EC Number	247-137-4
IUPAC Name	3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
InChI	InChI=1S/C11H7Cl2NO2/c1-6-9(11(13)15)10(14-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3
InChI Key	BPDBLWKFVXHGFT-UHFFFAOYSA-N
MDL Number	MFCD00020811
Molecular Formula	C11H7Cl2NO2
Molecular Weight	256.0848
NSC Number	81237
SMILES	O=C(Cl)C1=C(C)ON=C1C2=CC=CC=C2Cl
Synonyms	3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride, 25629-50-9, 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride, 4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-, NSC 81237, 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarbonyl chloride, 3-(o-Chlorophenyl)-5-methyl-4-isoxazole carbonylchloride, BPDBLWKFVXHGFT-UHFFFAOYSA-N, 4-Isoxazolecarbonyl chloride, 3-(o-chlorophenyl)-5-methyl-, W-107231, 3-(2-chlorophenyl)-5-methylisoxazole-4-carbonylchloride, Cimic chloride, NSC81237, EINECS 247-137-4, ACMC-20anlr, PubChem8668, AC1L3WSF, AC1Q2DHK, AC1Q3G8X, SCHEMBL315858, Jsp005071, CTK1A1866, 4-isoxazolecarbonyl chloride,3-(2-chlorophenyl)-5-methyl-, EBD4139, ALBB-021303, BB_SC-05489, ZINC1574328, ZX-AN036903, BBL027862, MFCD00020811, NSC-81237, STL382081, AKOS009031100, HCH0020294, MCULE-9099707245, TRA0061853, ACM25629509, NCGC00253746-01, AS-12221, BP-10168, CC-12274, CJ-24779, OR322003, BC4134531, DB-046741, RT-003396, FT-0613545, ST50409460, A817931, C-15898, SR-01000945031, I01-0836, SR-01000945031-1, F2190-0126, 3-(2-?hlorophenyl)-5-methylisoxazole-4-carbonyl chloride, 3-(o-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride, 4-Isoxazolecarbonylchloride, 3-(2-chlorophenyl)-5-methyl-, 3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid chloride, 4-Isoxazolecarbonyl chloride, 3-(o-chlorophenyl)-5-methyl- (8CI), C11H7Cl2NO2, cc-194, C11-H7-Cl2-N-O2, ACN-S002504, CID96590, AR-1G3014, 3- -5-methylisoxazole-4-carbonylchloride, 40947-69-1,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.985g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.082g/mol
Monoisotopic Mass	254.985g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H317
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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