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139755-56-9 | Pyrimidine, 2-(6-bromo-2-pyridinyl)-
CAS No: 139755-56-9 Catalog No: AG001BO8 MDL No:
Product Description
Catalog Number:
AG001BO8
Chemical Name:
Pyrimidine, 2-(6-bromo-2-pyridinyl)-
CAS Number:
139755-56-9
Molecular Formula:
C9H6BrN3
Molecular Weight:
236.0680
IUPAC Name:
2-(6-bromopyridin-2-yl)pyrimidine
InChI:
InChI=1S/C9H6BrN3/c10-8-4-1-3-7(13-8)9-11-5-2-6-12-9/h1-6H
InChI Key:
NOPPPZDYGYILNO-UHFFFAOYSA-N
SMILES:
Brc1cccc(n1)c1ncccn1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.975g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.072g/mol
Monoisotopic Mass:
234.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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