AG00IA9T

57684-71-6 | Isoxazole, 3-(chloromethyl)-

AG00IA9T

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CAS Number	57684-71-6
Catalog Number	AG00IA9T(AGN-PC-0LJAQP)
Chemical Name	Isoxazole, 3-(chloromethyl)-
IUPAC Name	3-(chloromethyl)-1,2-oxazole
InChI	InChI=1S/C4H4ClNO/c5-3-4-1-2-7-6-4/h1-2H,3H2
InChI Key	MKFCBJOVMMLPRT-UHFFFAOYSA-N
MDL Number	MFCD06809646
Molecular Formula	C4H4ClNO
Molecular Weight	117.5337
SMILES	ClCC1=NOC=C1
Synonyms	3-(Chloromethyl)isoxazole, 57684-71-6, 3-(chloromethyl)-1,2-oxazole, 3-Chloromethyl-isoxazole, 3-chloromethylisoxazole, Isoxazole, 3-(chloromethyl)-, 3-(chloromethyl)-isoxazole, ZERO/005758, chloromethyl isoxazole, AC1NKGKS, SCHEMBL541847, CTK1F1526, DTXSID70406737, MKFCBJOVMMLPRT-UHFFFAOYSA-N, ZINC4343312, ISOXAZOLE,3-(CHLOROMETHYL)-, 8517AB, ANW-72711, MFCD06809646, SBB013648, STK688147, AKOS000271175, MB04274, MCULE-2047090303, AJ-50680, BS-12745, SC-50785, DB-003378, ST4127233, TX-013011, CS-0085312, FT-0649859, EN300-24261, Z-5565, A831556, F8880-5747, C4H4ClNO, 3- ISOXAZOLE, CID4913025,

Complexity	59.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.998g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	117.532g/mol
Monoisotopic Mass	116.998g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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