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70360-31-5 | 2-Heptenenitrile, 3-bromo-2-(ethylthio)-, (Z)-
CAS No: 70360-31-5 Catalog No: AG005JV3 MDL No:
Product Description
Catalog Number:
AG005JV3
Chemical Name:
2-Heptenenitrile, 3-bromo-2-(ethylthio)-, (Z)-
CAS Number:
70360-31-5
Molecular Formula:
C9H14BrNS
Molecular Weight:
248.1832
IUPAC Name:
3-bromo-2-ethylsulfanylhept-2-enenitrile
InChI:
InChI=1S/C9H14BrNS/c1-3-5-6-8(10)9(7-11)12-4-2/h3-6H2,1-2H3
InChI Key:
HHUKIIGNMPCJSJ-UHFFFAOYSA-N
SMILES:
CCCC/C(=C(/SCC)\C#N)/Br
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.003g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.182g/mol
Monoisotopic Mass:
247.003g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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