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1192488-15-5 | 3-Oxazolidinecarboxylic acid, 4-(bromomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester
CAS No: 1192488-15-5 Catalog No: AG000IFS MDL No:MFCD11041413
Product Description
Catalog Number:
AG000IFS
Chemical Name:
3-Oxazolidinecarboxylic acid, 4-(bromomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester
CAS Number:
1192488-15-5
Molecular Formula:
C11H20BrNO3
Molecular Weight:
294.1854
MDL Number:
MFCD11041413
IUPAC Name:
tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C11H20BrNO3/c1-10(2,3)16-9(14)13-8(6-12)7-15-11(13,4)5/h8H,6-7H2,1-5H3
InChI Key:
UTFPBVQWEAFHRD-UHFFFAOYSA-N
SMILES:
BrCC1COC(N1C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.189g/mol
Monoisotopic Mass:
293.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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