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2137782-24-0 | 3-bromo-5-ethynyl-4-methylpyridine
CAS No: 2137782-24-0 Catalog No: AG01EMQM MDL No:MFCD31558718
Product Description
Catalog Number:
AG01EMQM
Chemical Name:
3-bromo-5-ethynyl-4-methylpyridine
CAS Number:
2137782-24-0
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
MDL Number:
MFCD31558718
IUPAC Name:
3-bromo-5-ethynyl-4-methylpyridine
InChI:
InChI=1S/C8H6BrN/c1-3-7-4-10-5-8(9)6(7)2/h1,4-5H,2H3
InChI Key:
WEUQPZHKVCGXNI-UHFFFAOYSA-N
SMILES:
C#Cc1cncc(c1C)Br
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.968g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.047g/mol
Monoisotopic Mass:
194.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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