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101339-45-1 | Benzonitrile, 2-chloro-6-[(4-methoxyphenyl)thio]-
CAS No: 101339-45-1 Catalog No: AG000497 MDL No:
Product Description
Catalog Number:
AG000497
Chemical Name:
Benzonitrile, 2-chloro-6-[(4-methoxyphenyl)thio]-
CAS Number:
101339-45-1
Molecular Formula:
C14H10ClNOS
Molecular Weight:
275.7533
IUPAC Name:
2-chloro-6-(4-methoxyphenyl)sulfanylbenzonitrile
InChI:
InChI=1S/C14H10ClNOS/c1-17-10-5-7-11(8-6-10)18-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChI Key:
VXZOUPKMCSHHBI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Sc1cccc(c1C#N)Cl
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.75g/mol
Monoisotopic Mass:
275.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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