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120136-30-3 | Benzene, 2-chloro-4-ethynyl-1-(methylthio)-
CAS No: 120136-30-3 Catalog No: AG000QDI MDL No:
Product Description
Catalog Number:
AG000QDI
Chemical Name:
Benzene, 2-chloro-4-ethynyl-1-(methylthio)-
CAS Number:
120136-30-3
Molecular Formula:
C9H7ClS
Molecular Weight:
182.6699
IUPAC Name:
2-chloro-4-ethynyl-1-methylsulfanylbenzene
InChI:
InChI=1S/C9H7ClS/c1-3-7-4-5-9(11-2)8(10)6-7/h1,4-6H,2H3
InChI Key:
YMRAHBGPMBCMLR-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(c(c1)Cl)SC
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.996g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.665g/mol
Monoisotopic Mass:
181.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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