Heptanenitrile, 7-bromo-


Chemical Name: Heptanenitrile, 7-bromo-
CAS Number: 20965-27-9
Product Number: AG002KC9(AGN-PC-0JLXMD)
Synonyms:
MDL No:
Molecular Formula: C7H12BrN
Molecular Weight: 190.0809

Identification/Properties


Properties
BP:
260.7 °C at 760 mmHg
Storage:
Room Temperature;Keep in dry area;
Computed Properties
Molecular Weight:
190.084g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
189.015g/mol
Monoisotopic Mass:
189.015g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
92.3
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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