AG000SPO

1263774-42-0 | (7aR)-3-(Trichloromethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one

AG000SPO

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CAS Number	1263774-42-0
Catalog Number	AG000SPO(AGN-PC-0WAMJI)
Chemical Name	(7aR)-3-(Trichloromethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one
IUPAC Name	(7aS)-3-(trichloromethyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one
InChI	InChI=1S/C7H8Cl3NO2/c8-7(9,10)6-11-3-1-2-4(11)5(12)13-6/h4,6H,1-3H2/t4-,6?/m0/s1
InChI Key	GWQBXRYSVSZLSL-VKZKZBKNSA-N
MDL Number	MFCD30536233
Molecular Formula	C7H8Cl3NO2
Molecular Weight	244.5029
SMILES	O=C1[C@](CCC2)([H])N2C(C(Cl)(Cl)Cl)O1
Synonyms	(7aR)-3-(trichloromethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one, 1263774-42-0, SCHEMBL8185541, KS-00000LGA, AK342689, (1S)-4-(Trichloromethyl)-3-oxa-5-azabicyclo[3.3.0]octane-2-one, (3S,7aR)-3-(trichloromethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one, 1330286-50-4,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	242.962g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.496g/mol
Monoisotopic Mass	242.962g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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