2-Propenal, 3-(4-bromophenyl)-, (2E)-


Chemical Name: 2-Propenal, 3-(4-bromophenyl)-, (2E)-
CAS Number: 49678-04-8
Product Number: AG003UXT(AGN-PC-0OB0KY)
Synonyms:
MDL No: MFCD03032509
Molecular Formula: C9H7BrO
Molecular Weight: 211.0553

Identification/Properties


Properties
MP:
70-74 °C
BP:
310.5°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
211.058g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
209.968g/mol
Monoisotopic Mass:
209.968g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
146
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#:
N/A
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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