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Home > Bromides > 1133116-07-0
1133116-07-0 | 2-(6-Bromonaphthalen-2-yl);-5-propyl-1,3,4-oxadiazole
CAS No: 1133116-07-0 Catalog No: AG003EYE MDL No:MFCD11855930
Product Description
Catalog Number:
AG003EYE
Chemical Name:
2-(6-Bromonaphthalen-2-yl);-5-propyl-1,3,4-oxadiazole
CAS Number:
1133116-07-0
Molecular Formula:
C15H13BrN2O
Molecular Weight:
317.1805
MDL Number:
MFCD11855930
IUPAC Name:
2-(6-bromonaphthalen-2-yl)-5-propyl-1,3,4-oxadiazole
InChI:
InChI=1S/C15H13BrN2O/c1-2-3-14-17-18-15(19-14)12-5-4-11-9-13(16)7-6-10(11)8-12/h4-9H,2-3H2,1H3
InChI Key:
ORSPKALGMVYIPE-UHFFFAOYSA-N
SMILES:
CCCc1nnc(o1)c1ccc2c(c1)ccc(c2)Br
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.186g/mol
Monoisotopic Mass:
316.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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