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820961-87-3 | Benzene, 1-chloro-4-[[(1S)-1-phenylethyl]thio]-
CAS No: 820961-87-3 Catalog No: AG005C5I MDL No:
Product Description
Catalog Number:
AG005C5I
Chemical Name:
Benzene, 1-chloro-4-[[(1S)-1-phenylethyl]thio]-
CAS Number:
820961-87-3
Molecular Formula:
C14H13ClS
Molecular Weight:
248.7710
IUPAC Name:
1-chloro-4-[(1S)-1-phenylethyl]sulfanylbenzene
InChI:
InChI=1S/C14H13ClS/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-11H,1H3/t11-/m0/s1
InChI Key:
OGXVJNQDFSWBJS-NSHDSACASA-N
SMILES:
Clc1ccc(cc1)S[C@H](c1ccccc1)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
248.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.768g/mol
Monoisotopic Mass:
248.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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