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139149-49-8 | 3-Oxazolidinecarbonyl chloride, 2-oxo-4-(phenylmethyl)-, (4S)-
CAS No: 139149-49-8 Catalog No: AG001AEP MDL No:
Product Description
Catalog Number:
AG001AEP
Chemical Name:
3-Oxazolidinecarbonyl chloride, 2-oxo-4-(phenylmethyl)-, (4S)-
CAS Number:
139149-49-8
Molecular Formula:
C11H10ClNO3
Molecular Weight:
239.6550
IUPAC Name:
(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl chloride
InChI:
InChI=1S/C11H10ClNO3/c12-10(14)13-9(7-16-11(13)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1
InChI Key:
KGTQHYQRMXXFEI-VIFPVBQESA-N
SMILES:
ClC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
239.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.655g/mol
Monoisotopic Mass:
239.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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