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81851-01-6 | Pyridine, 2-[[(4-chlorophenyl)sulfinyl]methyl]-
CAS No: 81851-01-6 Catalog No: AG00509C MDL No:
Product Description
Catalog Number:
AG00509C
Chemical Name:
Pyridine, 2-[[(4-chlorophenyl)sulfinyl]methyl]-
CAS Number:
81851-01-6
Molecular Formula:
C12H10ClNOS
Molecular Weight:
251.7319
IUPAC Name:
2-[(4-chlorophenyl)sulfinylmethyl]pyridine
InChI:
InChI=1S/C12H10ClNOS/c13-10-4-6-12(7-5-10)16(15)9-11-3-1-2-8-14-11/h1-8H,9H2
InChI Key:
PTRFGQDKBVZGHV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)Cc1ccccn1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.728g/mol
Monoisotopic Mass:
251.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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