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Home > Bromides > 1363378-23-7
1363378-23-7 | 1-Azetidinecarboxylic acid, 2-(bromomethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1363378-23-7 Catalog No: AG0011NY MDL No:MFCD22566238
Product Description
Catalog Number:
AG0011NY
Chemical Name:
1-Azetidinecarboxylic acid, 2-(bromomethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1363378-23-7
Molecular Formula:
C9H16BrNO2
Molecular Weight:
250.1328
MDL Number:
MFCD22566238
IUPAC Name:
tert-butyl (2S)-2-(bromomethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C9H16BrNO2/c1-9(2,3)13-8(12)11-5-4-7(11)6-10/h7H,4-6H2,1-3H3/t7-/m0/s1
InChI Key:
YDUBHKXBYBMWRH-ZETCQYMHSA-N
SMILES:
BrC[C@@H]1CCN1C(=O)OC(C)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.136g/mol
Monoisotopic Mass:
249.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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