2-Propenoic acid, 3-(3-bromophenyl)-


Chemical Name: 2-Propenoic acid, 3-(3-bromophenyl)-
CAS Number: 32862-97-8
Product Number: AG00I6AE(AGN-PC-0JKOYI)
Synonyms:
MDL No:
Molecular Formula: C9H7BrO2
Molecular Weight: 227.0547

Identification/Properties


Properties
MP:
177-179 °C(lit.)
BP:
344.1 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5627 (estimate)
Solubility:
methanol: soluble
Computed Properties
Molecular Weight:
227.057g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
225.963g/mol
Monoisotopic Mass:
225.963g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
189
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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