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17694-68-7 | Ethanone, 2-bromo-1-(3-pyridinyl)-, hydrobromide (1:1)
CAS No: 17694-68-7 Catalog No: AG00250I MDL No:MFCD00052182
Product Description
Catalog Number:
AG00250I
Chemical Name:
Ethanone, 2-bromo-1-(3-pyridinyl)-, hydrobromide (1:1)
CAS Number:
17694-68-7
Molecular Formula:
C7H7Br2NO
Molecular Weight:
280.9446
MDL Number:
MFCD00052182
IUPAC Name:
2-bromo-1-pyridin-3-ylethanone;hydrobromide
InChI:
InChI=1S/C7H6BrNO.BrH/c8-4-7(10)6-2-1-3-9-5-6;/h1-3,5H,4H2;1H
InChI Key:
WDTSYONULAZKIE-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cccnc1.Br
EC Number:
241-692-6
NSC Number:
63193
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.887g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.947g/mol
Monoisotopic Mass:
278.889g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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