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Home > Bromides > 1291487-21-2
1291487-21-2 | Carbamic acid, N-(5-bromo-2-pyridinyl)-N-butyl-, 1,1-dimethylethyl ester
CAS No: 1291487-21-2 Catalog No: AG000YWS MDL No:MFCD18837631
Product Description
Catalog Number:
AG000YWS
Chemical Name:
Carbamic acid, N-(5-bromo-2-pyridinyl)-N-butyl-, 1,1-dimethylethyl ester
CAS Number:
1291487-21-2
Molecular Formula:
C14H21BrN2O2
Molecular Weight:
329.2327
MDL Number:
MFCD18837631
IUPAC Name:
tert-butyl N-(5-bromopyridin-2-yl)-N-butylcarbamate
InChI:
InChI=1S/C14H21BrN2O2/c1-5-6-9-17(13(18)19-14(2,3)4)12-8-7-11(15)10-16-12/h7-8,10H,5-6,9H2,1-4H3
InChI Key:
JFYHNENQXVHJSF-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(cn1)Br)C(=O)OC(C)(C)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.238g/mol
Monoisotopic Mass:
328.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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