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88775-81-9 | Propanenitrile, 2-[(5-bromo-8-quinolinyl)oxy]-
CAS No: 88775-81-9 Catalog No: AG004B2I MDL No:
Product Description
Catalog Number:
AG004B2I
Chemical Name:
Propanenitrile, 2-[(5-bromo-8-quinolinyl)oxy]-
CAS Number:
88775-81-9
Molecular Formula:
C12H9BrN2O
Molecular Weight:
277.1167
IUPAC Name:
2-(5-bromoquinolin-8-yl)oxypropanenitrile
InChI:
InChI=1S/C12H9BrN2O/c1-8(7-14)16-11-5-4-10(13)9-3-2-6-15-12(9)11/h2-6,8H,1H3
InChI Key:
YYEVJNQFWDNMNQ-UHFFFAOYSA-N
SMILES:
N#CC(Oc1ccc(c2c1nccc2)Br)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.99g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.121g/mol
Monoisotopic Mass:
275.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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