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4926-28-7 | 2-Bromo-4-methylpyridine
CAS No: 4926-28-7 Catalog No: AG003GOP MDL No:MFCD00082590
Product Description
Catalog Number:
AG003GOP
Chemical Name:
2-Bromo-4-methylpyridine
CAS Number:
4926-28-7
Molecular Formula:
C6H6BrN
Molecular Weight:
172.0225
MDL Number:
MFCD00082590
IUPAC Name:
2-bromo-4-methylpyridine
InChI:
InChI=1S/C6H6BrN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChI Key:
LSZMVESSGLHDJE-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)Br
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:
1.9
Literature
| Title | Journal |
|---|---|
| Bis[3,5-difluoro-2-(4-methyl-pyridin-2-yl)phenyl-κC,N](picolinato-κN,O)iridium(III) chloro-form monosolvate. | Acta crystallographica. Section E, Structure reports online 20110901 |
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