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86954-06-5 | 2-Bromomethyl-pyrrolidine-1-carboxylic acid benzyl ester
CAS No: 86954-06-5 Catalog No: AG01EY07 MDL No:
Product Description
Catalog Number:
AG01EY07
Chemical Name:
2-Bromomethyl-pyrrolidine-1-carboxylic acid benzyl ester
CAS Number:
86954-06-5
Molecular Formula:
C13H16BrNO2
Molecular Weight:
298.1756
IUPAC Name:
benzyl 2-(bromomethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H16BrNO2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChI Key:
SWEDETNNQUBIJG-UHFFFAOYSA-N
SMILES:
BrCC1CCCN1C(=O)OCc1ccccc1
Properties
Complexity:
254
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:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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