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Home > Bromides > 1227958-64-6
1227958-64-6 | 5,8-Dioxaspiro[3.4]octane-2-carbonitrile, 2-(4-bromophenyl)-
CAS No: 1227958-64-6 Catalog No: AG000JH7 MDL No:
Product Description
Catalog Number:
AG000JH7
Chemical Name:
5,8-Dioxaspiro[3.4]octane-2-carbonitrile, 2-(4-bromophenyl)-
CAS Number:
1227958-64-6
Molecular Formula:
C13H12BrNO2
Molecular Weight:
294.1439
IUPAC Name:
2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane-2-carbonitrile
InChI:
InChI=1S/C13H12BrNO2/c14-11-3-1-10(2-4-11)12(9-15)7-13(8-12)16-5-6-17-13/h1-4H,5-8H2
InChI Key:
CCNZAQZGHJQDJR-UHFFFAOYSA-N
SMILES:
N#CC1(CC2(C1)OCCO2)c1ccc(cc1)Br
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.148g/mol
Monoisotopic Mass:
293.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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