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86303-11-9 | 1-Propanone, 2-(4-bromo-3-pyridinyl)-2-methyl-1-(3-pyridinyl)-
CAS No: 86303-11-9 Catalog No: AG004MRN MDL No:
Product Description
Catalog Number:
AG004MRN
Chemical Name:
1-Propanone, 2-(4-bromo-3-pyridinyl)-2-methyl-1-(3-pyridinyl)-
CAS Number:
86303-11-9
Molecular Formula:
C14H13BrN2O
Molecular Weight:
305.1698
IUPAC Name:
2-(4-bromopyridin-3-yl)-2-methyl-1-pyridin-3-ylpropan-1-one
InChI:
InChI=1S/C14H13BrN2O/c1-14(2,11-9-17-7-5-12(11)15)13(18)10-4-3-6-16-8-10/h3-9H,1-2H3
InChI Key:
OVRNHSTVVYYSBH-UHFFFAOYSA-N
SMILES:
Brc1ccncc1C(C(=O)c1cccnc1)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.021g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.175g/mol
Monoisotopic Mass:
304.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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