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1280786-95-9 | Carbamic acid, N-(5-bromo-2-pyridinyl)-N-propyl-, 1,1-dimethylethyl ester
CAS No: 1280786-95-9 Catalog No: AG000XS7 MDL No:MFCD18783202
Product Description
Catalog Number:
AG000XS7
Chemical Name:
Carbamic acid, N-(5-bromo-2-pyridinyl)-N-propyl-, 1,1-dimethylethyl ester
CAS Number:
1280786-95-9
Molecular Formula:
C13H19BrN2O2
Molecular Weight:
315.2062
MDL Number:
MFCD18783202
IUPAC Name:
tert-butyl N-(5-bromopyridin-2-yl)-N-propylcarbamate
InChI:
InChI=1S/C13H19BrN2O2/c1-5-8-16(12(17)18-13(2,3)4)11-7-6-10(14)9-15-11/h6-7,9H,5,8H2,1-4H3
InChI Key:
VZDUUOKOSIHTEL-UHFFFAOYSA-N
SMILES:
CCCN(c1ccc(cn1)Br)C(=O)OC(C)(C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.211g/mol
Monoisotopic Mass:
314.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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