2-[4-(bromomethyl)phenyl]propanoic acid


Chemical Name: 2-[4-(bromomethyl)phenyl]propanoic acid
CAS Number: 111128-12-2
Product Number: AG003EV3(AGN-PC-0KK6AI)
Synonyms:
MDL No: MFCD02093445
Molecular Formula: C10H11BrO2
Molecular Weight: 243.0971

Identification/Properties


Properties
MP:
126-130 °C
BP:
344.2 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5220 (estimate)
Computed Properties
Molecular Weight:
243.1g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
241.994g/mol
Monoisotopic Mass:
241.994g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
174
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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