2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl ester


Chemical Name: 2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl ester
CAS Number: 946-99-6
Product Number: AG00356C(AGN-PC-00DKXT)
Synonyms:
MDL No:
Molecular Formula: C11H11BrO2
Molecular Weight: 255.1078

Identification/Properties


Properties
MP:
59 - 60 °C
BP:
333.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
255.111g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
253.994g/mol
Monoisotopic Mass:
253.994g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
205
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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