Benzene, 1-bromo-4-ethynyl-


Chemical Name: Benzene, 1-bromo-4-ethynyl-
CAS Number: 766-96-1
Product Number: AG0038G6(AGN-PC-0JMOYU)
Synonyms:
MDL No:
Molecular Formula: C8H5Br
Molecular Weight: 181.0293

Identification/Properties


Computed Properties
Molecular Weight:
181.032g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
1
Exact Mass:
179.957g/mol
Monoisotopic Mass:
179.957g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
123
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:
Danger
UN#:
3077
Hazard Statements:
H315-H319-H411
Precautionary Statements:
P501-P273-P264-P280-P391-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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