1-Naphthalenecarbonitrile, 4-bromo-


Chemical Name: 1-Naphthalenecarbonitrile, 4-bromo-
CAS Number: 92616-49-4
Product Number: AG0038J7(AGN-PC-002AQ8)
Synonyms:
MDL No: MFCD17012445
Molecular Formula: C11H6BrN
Molecular Weight: 232.0760

Identification/Properties


Computed Properties
Molecular Weight:
232.08g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
230.968g/mol
Monoisotopic Mass:
230.968g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
230
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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