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177170-83-1 | 5-Hexenenitrile, 5-bromo-
CAS No: 177170-83-1 Catalog No: AG002557 MDL No:
Product Description
Catalog Number:
AG002557
Chemical Name:
5-Hexenenitrile, 5-bromo-
CAS Number:
177170-83-1
Molecular Formula:
C6H8BrN
Molecular Weight:
174.0384
IUPAC Name:
5-bromohex-5-enenitrile
InChI:
InChI=1S/C6H8BrN/c1-6(7)4-2-3-5-8/h1-4H2
InChI Key:
FUAOXCAUSRUFSI-UHFFFAOYSA-N
SMILES:
N#CCCCC(=C)Br
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.984g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.041g/mol
Monoisotopic Mass:
172.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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