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1822856-45-0 | Carbamic acid, N-[(2,6-dibromo-4-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1822856-45-0 Catalog No: AG0023KB MDL No:
Product Description
Catalog Number:
AG0023KB
Chemical Name:
Carbamic acid, N-[(2,6-dibromo-4-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1822856-45-0
Molecular Formula:
C11H14Br2N2O2
Molecular Weight:
366.0491
IUPAC Name:
tert-butyl N-[(2,6-dibromopyridin-4-yl)methyl]carbamate
InChI:
InChI=1S/C11H14Br2N2O2/c1-11(2,3)17-10(16)14-6-7-4-8(12)15-9(13)5-7/h4-5H,6H2,1-3H3,(H,14,16)
InChI Key:
VKJGOAKTAYMPMQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cc(Br)nc(c1)Br
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.94g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.053g/mol
Monoisotopic Mass:
363.942g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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