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26394-31-0 | 2-Butenal, 2,4-dichloro-
CAS No: 26394-31-0 Catalog No: AG002T1G MDL No:
Product Description
Catalog Number:
AG002T1G
Chemical Name:
2-Butenal, 2,4-dichloro-
CAS Number:
26394-31-0
Molecular Formula:
C4H4Cl2O
Molecular Weight:
138.9800
IUPAC Name:
(Z)-2,4-dichlorobut-2-enal
InChI:
InChI=1S/C4H4Cl2O/c5-2-1-4(6)3-7/h1,3H,2H2/b4-1-
InChI Key:
FSPXZKAEHGXEHN-RJRFIUFISA-N
SMILES:
ClC(=CCCl)C=O
EC Number:
247-651-9
Properties
Complexity:
87.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
137.964g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.975g/mol
Monoisotopic Mass:
137.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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