Benzene, 1-bromo-3-(1,1-dimethylethyl)-


Chemical Name: Benzene, 1-bromo-3-(1,1-dimethylethyl)-
CAS Number: 3972-64-3
Product Number: AG0038RL(AGN-PC-0JMFP6)
Synonyms:
MDL No:
Molecular Formula: C10H13Br
Molecular Weight: 213.1142

Identification/Properties


Computed Properties
Molecular Weight:
213.118g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
1
Exact Mass:
212.02g/mol
Monoisotopic Mass:
212.02g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
11
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:
Warning
UN#:
N/A
Hazard Statements:
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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