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Home > Bromides > 1196156-17-8
1196156-17-8 | Pyridine, 2-bromo-4-ethynyl-
CAS No: 1196156-17-8 Catalog No: AG000PCU MDL No:MFCD13189743
Product Description
Catalog Number:
AG000PCU
Chemical Name:
Pyridine, 2-bromo-4-ethynyl-
CAS Number:
1196156-17-8
Molecular Formula:
C7H4BrN
Molecular Weight:
182.0174
MDL Number:
MFCD13189743
IUPAC Name:
2-bromo-4-ethynylpyridine
InChI:
InChI=1S/C7H4BrN/c1-2-6-3-4-9-7(8)5-6/h1,3-5H
InChI Key:
MEYDJNWFFQNNFD-UHFFFAOYSA-N
SMILES:
C#Cc1ccnc(c1)Br
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.953g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.02g/mol
Monoisotopic Mass:
180.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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