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81851-04-9 | Pyridine, 2-[[(3,4-dichlorophenyl)sulfinyl]methyl]-
CAS No: 81851-04-9 Catalog No: AG005HTG MDL No:
Product Description
Catalog Number:
AG005HTG
Chemical Name:
Pyridine, 2-[[(3,4-dichlorophenyl)sulfinyl]methyl]-
CAS Number:
81851-04-9
Molecular Formula:
C12H9Cl2NOS
Molecular Weight:
286.1770
IUPAC Name:
2-[(3,4-dichlorophenyl)sulfinylmethyl]pyridine
InChI:
InChI=1S/C12H9Cl2NOS/c13-11-5-4-10(7-12(11)14)17(16)8-9-3-1-2-6-15-9/h1-7H,8H2
InChI Key:
SYCMYQPFOUHYPQ-UHFFFAOYSA-N
SMILES:
O=S(c1ccc(c(c1)Cl)Cl)Cc1ccccn1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.978g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.17g/mol
Monoisotopic Mass:
284.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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