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5443-49-2 | 2-Bromo-3-phenylacrylaldehyde
CAS No: 5443-49-2 Catalog No: AG003NRX MDL No:MFCD00006965
Product Description
Catalog Number:
AG003NRX
Chemical Name:
2-Bromo-3-phenylacrylaldehyde
CAS Number:
5443-49-2
Molecular Formula:
C9H7BrO
Molecular Weight:
211.0553
MDL Number:
MFCD00006965
IUPAC Name:
(Z)-2-bromo-3-phenylprop-2-enal
InChI:
InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-
InChI Key:
WQRWNOKNRHCLHV-TWGQIWQCSA-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:
1
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:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| The comparison of α-bromo-4-chlorocinnamaldehyde and cinnamaldehyde on coxsackie virus B3-induced myocarditis and their mechanisms. | International immunopharmacology 20120901 |
| Guanidinium ylide mediated aziridination: identification of a spiro imidazolidine-oxazolidine intermediate. | The Journal of organic chemistry 20060818 |
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