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128542-75-6 | 1-Pyrrolidinecarboxylic acid, 2-(bromomethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS No: 128542-75-6 Catalog No: AG000Y5V MDL No:MFCD10566043
Product Description
Catalog Number:
AG000Y5V
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(bromomethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
128542-75-6
Molecular Formula:
C10H18BrNO2
Molecular Weight:
264.1594
MDL Number:
MFCD10566043
IUPAC Name:
tert-butyl (2S)-2-(bromomethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7H2,1-3H3/t8-/m0/s1
InChI Key:
OSMADJAEHVCZKN-QMMMGPOBSA-N
SMILES:
BrC[C@@H]1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
263.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.163g/mol
Monoisotopic Mass:
263.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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