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145905-09-5 | Ethanone, 2-bromo-1-(5-chloro-2-pyridinyl)-, hydrobromide (1:1)
CAS No: 145905-09-5 Catalog No: AG001DHT MDL No:MFCD18072458
Product Description
Catalog Number:
AG001DHT
Chemical Name:
Ethanone, 2-bromo-1-(5-chloro-2-pyridinyl)-, hydrobromide (1:1)
CAS Number:
145905-09-5
Molecular Formula:
C7H6Br2ClNO
Molecular Weight:
315.3896
MDL Number:
MFCD18072458
IUPAC Name:
2-bromo-1-(5-chloropyridin-2-yl)ethanone;hydrobromide
InChI:
InChI=1S/C7H5BrClNO.BrH/c8-3-7(11)6-2-1-5(9)4-10-6;/h1-2,4H,3H2;1H
InChI Key:
LKMXQTDXFUVXFM-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cn1)Cl.Br
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.848g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.389g/mol
Monoisotopic Mass:
312.85g/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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