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Home > Bromides > 1420894-87-6
1420894-87-6 | 1-Azetidinecarboxylic acid, 3-(2-bromoethyl)-, phenylmethyl ester
CAS No: 1420894-87-6 Catalog No: AG001HRA MDL No:
Product Description
Catalog Number:
AG001HRA
Chemical Name:
1-Azetidinecarboxylic acid, 3-(2-bromoethyl)-, phenylmethyl ester
CAS Number:
1420894-87-6
Molecular Formula:
C13H16BrNO2
Molecular Weight:
298.1756
IUPAC Name:
benzyl 3-(2-bromoethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C13H16BrNO2/c14-7-6-12-8-15(9-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChI Key:
FAWMKRMLEASTIE-UHFFFAOYSA-N
SMILES:
BrCCC1CN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.18g/mol
Monoisotopic Mass:
297.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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