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84100-56-1 | 2-(CHLORO-2-THIENYLMETHYLENE)BUTYRALDEHYDE
CAS No: 84100-56-1 Catalog No: AG0050B2 MDL No:
Product Description
Catalog Number:
AG0050B2
Chemical Name:
2-(CHLORO-2-THIENYLMETHYLENE)BUTYRALDEHYDE
CAS Number:
84100-56-1
Molecular Formula:
C9H9ClOS
Molecular Weight:
200.6852
IUPAC Name:
(2Z)-2-[chloro(thiophen-2-yl)methylidene]butanal
InChI:
InChI=1S/C9H9ClOS/c1-2-7(6-11)9(10)8-4-3-5-12-8/h3-6H,2H2,1H3/b9-7-
InChI Key:
IBTAMKGCTMRRHI-CLFYSBASSA-N
SMILES:
CCC(=C(c1cccs1)Cl)C=O
EC Number:
282-136-2
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
200.006g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.68g/mol
Monoisotopic Mass:
200.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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