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Home > Bromides > 1261231-92-8
1261231-92-8 | 1-Pyrrolidinecarboxylic acid, 2-[[(6-bromo-2-pyridinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1261231-92-8 Catalog No: AG000ROV MDL No:MFCD18380465
Product Description
Catalog Number:
AG000ROV
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[[(6-bromo-2-pyridinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1261231-92-8
Molecular Formula:
C15H21BrN2O3
Molecular Weight:
357.2428
MDL Number:
MFCD18380465
IUPAC Name:
tert-butyl 2-[(6-bromopyridin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H21BrN2O3/c1-15(2,3)21-14(19)18-9-5-6-11(18)10-20-13-8-4-7-12(16)17-13/h4,7-8,11H,5-6,9-10H2,1-3H3
InChI Key:
ZIQCRIREJXJFIQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1COc1cccc(n1)Br)OC(C)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.248g/mol
Monoisotopic Mass:
356.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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