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81008-50-6 | Butanal, 3-[(4-chlorophenyl)thio]-
CAS No: 81008-50-6 Catalog No: AG0056M8 MDL No:
Product Description
Catalog Number:
AG0056M8
Chemical Name:
Butanal, 3-[(4-chlorophenyl)thio]-
CAS Number:
81008-50-6
Molecular Formula:
C10H11ClOS
Molecular Weight:
214.7117
IUPAC Name:
3-(4-chlorophenyl)sulfanylbutanal
InChI:
InChI=1S/C10H11ClOS/c1-8(6-7-12)13-10-4-2-9(11)3-5-10/h2-5,7-8H,6H2,1H3
InChI Key:
BIOGIOJNNVAUSF-UHFFFAOYSA-N
SMILES:
O=CCC(Sc1ccc(cc1)Cl)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.707g/mol
Monoisotopic Mass:
214.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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