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17530-80-2 | Benzene, 1-chloro-4-[(phenylsulfinyl)methyl]-
CAS No: 17530-80-2 Catalog No: AG0020WI MDL No:
Product Description
Catalog Number:
AG0020WI
Chemical Name:
Benzene, 1-chloro-4-[(phenylsulfinyl)methyl]-
CAS Number:
17530-80-2
Molecular Formula:
C13H11ClOS
Molecular Weight:
250.7438
IUPAC Name:
1-(benzenesulfinylmethyl)-4-chlorobenzene
InChI:
InChI=1S/C13H11ClOS/c14-12-8-6-11(7-9-12)10-16(15)13-4-2-1-3-5-13/h1-9H,10H2
InChI Key:
DMXKWWLFOPKKAW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CS(=O)c1ccccc1
NSC Number:
20883
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.022g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.74g/mol
Monoisotopic Mass:
250.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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