Home Halogens 2-Propenal, 2-bromo-3-phenyl-, (E)-

2-Propenal, 2-bromo-3-phenyl-, (E)-

CAS No.:
99686-39-2
Catalog Number:
AG006NIO
Molecular Formula:
C9H7BrO
Molecular Weight:
211.0553
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Product Description
Catalog Number:
AG006NIO
Chemical Name:
2-Propenal, 2-bromo-3-phenyl-, (E)-
CAS Number:
99686-39-2
Molecular Formula:
C9H7BrO
Molecular Weight:
211.0553
MDL Number:
MFCD00481406
IUPAC Name:
2-bromo-3-phenylprop-2-enal
InChI:
InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H
InChI Key:
WQRWNOKNRHCLHV-UHFFFAOYSA-N
SMILES:
O=C/C(=C\c1ccccc1)/Br
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.968g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.058g/mol
Monoisotopic Mass:
209.968g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.7  
Literature
Title Journal
Guanidinium ylide mediated aziridination: identification of a spiro imidazolidine-oxazolidine intermediate. The Journal of organic chemistry 20060818
Properties