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20912-69-0 | Benzene, 1-chloro-4-[(4-methoxyphenyl)thio]-
CAS No: 20912-69-0 Catalog No: AG002K2C MDL No:
Product Description
Catalog Number:
AG002K2C
Chemical Name:
Benzene, 1-chloro-4-[(4-methoxyphenyl)thio]-
CAS Number:
20912-69-0
Molecular Formula:
C13H11ClOS
Molecular Weight:
250.7438
IUPAC Name:
1-chloro-4-(4-methoxyphenyl)sulfanylbenzene
InChI:
InChI=1S/C13H11ClOS/c1-15-11-4-8-13(9-5-11)16-12-6-2-10(14)3-7-12/h2-9H,1H3
InChI Key:
CRZNSNXESWNOEA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Sc1ccc(cc1)Cl
Properties
Complexity:
196
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:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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