Benzoic acid, 4-bromo-2-methyl-


Chemical Name: Benzoic acid, 4-bromo-2-methyl-
CAS Number: 68837-59-2
Product Number: AG0033XN(AGN-PC-0JM3OZ)
Synonyms:
MDL No: MFCD00040905
Molecular Formula: C8H7BrO2
Molecular Weight: 215.0440

Identification/Properties


Properties
MP:
187 °C
BP:
310.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
215.046g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
213.963g/mol
Monoisotopic Mass:
213.963g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
158
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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