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Home > Bromides > 1260761-91-8
1260761-91-8 | Carbamic acid, N-(5-bromo-4-methyl-2-pyridinyl)-, phenylmethyl ester
CAS No: 1260761-91-8 Catalog No: AG000R58 MDL No:
Product Description
Catalog Number:
AG000R58
Chemical Name:
Carbamic acid, N-(5-bromo-4-methyl-2-pyridinyl)-, phenylmethyl ester
CAS Number:
1260761-91-8
Molecular Formula:
C14H13BrN2O2
Molecular Weight:
321.1692
IUPAC Name:
N-benzyl-N-(5-bromo-4-methylpyridin-2-yl)carbamate
InChI:
InChI=1S/C14H13BrN2O2/c1-10-7-13(16-8-12(10)15)17(14(18)19)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19)/p-1
InChI Key:
JTEVQMKHEKWEBN-UHFFFAOYSA-M
SMILES:
O=C(Nc1ncc(c(c1)C)Br)OCc1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.008g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.166g/mol
Monoisotopic Mass:
319.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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