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5315-25-3 | 2-Bromo-6-methylpyridine
CAS No: 5315-25-3 Catalog No: AG003GR2 MDL No:MFCD00040743
Product Description
Catalog Number:
AG003GR2
Chemical Name:
2-Bromo-6-methylpyridine
CAS Number:
5315-25-3
Molecular Formula:
C6H6BrN
Molecular Weight:
172.0225
MDL Number:
MFCD00040743
IUPAC Name:
2-bromo-6-methylpyridine
InChI:
InChI=1S/C6H6BrN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
InChI Key:
SOHDPICLICFSOP-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)Br
EC Number:
226-173-4
Properties
Complexity:
74.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.968g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.025g/mol
Monoisotopic Mass:
170.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Electrospray ionization mass spectrometry: a technique to access the information beyond the molecular weight of the analyte. | International journal of analytical chemistry 20120101 |
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