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84100-57-2 | 4-CHLORO-2-(CHLORO-2-THIENYLMETHYLENE)BUTYRALDEHYDE
CAS No: 84100-57-2 Catalog No: AG008GXX MDL No:
Product Description
Catalog Number:
AG008GXX
Chemical Name:
4-CHLORO-2-(CHLORO-2-THIENYLMETHYLENE)BUTYRALDEHYDE
CAS Number:
84100-57-2
Molecular Formula:
C9H8Cl2OS
Molecular Weight:
235.1302
IUPAC Name:
(2Z)-4-chloro-2-[chloro(thiophen-2-yl)methylidene]butanal
InChI:
InChI=1S/C9H8Cl2OS/c10-4-3-7(6-12)9(11)8-2-1-5-13-8/h1-2,5-6H,3-4H2/b9-7-
InChI Key:
QXEFQLSTMWQGGF-CLFYSBASSA-N
SMILES:
ClCCC(=C(c1cccs1)Cl)C=O
EC Number:
282-137-8
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
233.967g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.122g/mol
Monoisotopic Mass:
233.967g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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