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832720-92-0 | 2-Butenal, 3-(3,4-dichlorophenyl)-, (2E)-
CAS No: 832720-92-0 Catalog No: AG004TTY MDL No:
Product Description
Catalog Number:
AG004TTY
Chemical Name:
2-Butenal, 3-(3,4-dichlorophenyl)-, (2E)-
CAS Number:
832720-92-0
Molecular Formula:
C10H8Cl2O
Molecular Weight:
215.0759
IUPAC Name:
3-(3,4-dichlorophenyl)but-2-enal
InChI:
InChI=1S/C10H8Cl2O/c1-7(4-5-13)8-2-3-9(11)10(12)6-8/h2-6H,1H3
InChI Key:
DBTATBPKEUNJIG-UHFFFAOYSA-N
SMILES:
O=C/C=C(/c1ccc(c(c1)Cl)Cl)\C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.073g/mol
Monoisotopic Mass:
213.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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