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81851-06-1 | Pyridine, 2-[[(3,4-dichlorophenyl)sulfinyl]methyl]-, hydrochloride
CAS No: 81851-06-1 Catalog No: AG005HTF MDL No:
Product Description
Catalog Number:
AG005HTF
Chemical Name:
Pyridine, 2-[[(3,4-dichlorophenyl)sulfinyl]methyl]-, hydrochloride
CAS Number:
81851-06-1
Molecular Formula:
C12H10Cl3NOS
Molecular Weight:
322.6379
IUPAC Name:
2-[(3,4-dichlorophenyl)sulfinylmethyl]pyridine;hydrochloride
InChI:
InChI=1S/C12H9Cl2NOS.ClH/c13-11-5-4-10(7-12(11)14)17(16)8-9-3-1-2-6-15-9;/h1-7H,8H2;1H
InChI Key:
WIMRZHAXHHMNDB-UHFFFAOYSA-N
SMILES:
O=S(c1ccc(c(c1)Cl)Cl)Cc1ccccn1.Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.955g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.628g/mol
Monoisotopic Mass:
320.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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