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113738-31-1 | Ethanone, 1-(2-pyridinyl)-, hydrobromide (1:1)
CAS No: 113738-31-1 Catalog No: AG0009IR MDL No:
Product Description
Catalog Number:
AG0009IR
Chemical Name:
Ethanone, 1-(2-pyridinyl)-, hydrobromide (1:1)
CAS Number:
113738-31-1
Molecular Formula:
C7H8BrNO
Molecular Weight:
202.0485
IUPAC Name:
1-pyridin-2-ylethanone;hydrobromide
InChI:
InChI=1S/C7H7NO.BrH/c1-6(9)7-4-2-3-5-8-7;/h2-5H,1H3;1H
InChI Key:
QQOKEPYBMDDSNC-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccccn1.Br
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.979g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.051g/mol
Monoisotopic Mass:
200.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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