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Home > Bromides > 1196155-22-2
1196155-22-2 | Pyridine, 4-bromo-2-ethynyl-
CAS No: 1196155-22-2 Catalog No: AG000PBX MDL No:MFCD13189721
Product Description
Catalog Number:
AG000PBX
Chemical Name:
Pyridine, 4-bromo-2-ethynyl-
CAS Number:
1196155-22-2
Molecular Formula:
C7H4BrN
Molecular Weight:
182.0174
MDL Number:
MFCD13189721
IUPAC Name:
4-bromo-2-ethynylpyridine
InChI:
InChI=1S/C7H4BrN/c1-2-7-5-6(8)3-4-9-7/h1,3-5H
InChI Key:
IHWUEWABOVLRAW-UHFFFAOYSA-N
SMILES:
Brc1cc(ncc1)C#C
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:
1.8
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