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19881-70-0 | Benzeneacetaldehyde, α-[chloro(4-methoxyphenyl)methylene]-4-methoxy-, (αZ)-
CAS No: 19881-70-0 Catalog No: AG002BQN MDL No:MFCD00547134
Product Description
Catalog Number:
AG002BQN
Chemical Name:
Benzeneacetaldehyde, α-[chloro(4-methoxyphenyl)methylene]-4-methoxy-, (αZ)-
CAS Number:
19881-70-0
Molecular Formula:
C17H15ClO3
Molecular Weight:
302.7522
MDL Number:
MFCD00547134
IUPAC Name:
(Z)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-enal
InChI:
InChI=1S/C17H15ClO3/c1-20-14-7-3-12(4-8-14)16(11-19)17(18)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3/b17-16+
InChI Key:
VNRALGZMXHFBPG-WUKNDPDISA-N
SMILES:
COc1ccc(cc1)/C(=C(\c1ccc(cc1)OC)/Cl)/C=O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
302.071g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.754g/mol
Monoisotopic Mass:
302.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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