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1263774-42-0 | 1H,3H-Pyrrolo[1,2-c]oxazol-1-one, tetrahydro-3-(trichloromethyl)-, (7aR)-
CAS No: 1263774-42-0 Catalog No: AG000SPO MDL No:MFCD29059070
Product Description
Catalog Number:
AG000SPO
Chemical Name:
1H,3H-Pyrrolo[1,2-c]oxazol-1-one, tetrahydro-3-(trichloromethyl)-, (7aR)-
CAS Number:
1263774-42-0
Molecular Formula:
C7H8Cl3NO2
Molecular Weight:
244.5029
MDL Number:
MFCD29059070
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
SMILES:
O=C1OC(N2[C@@H]1CCC2)C(Cl)(Cl)Cl
Properties
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
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