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1442-06-4 | Benzoyl chloride, 4-(methylthio)-
CAS No: 1442-06-4 Catalog No: AG001J4B MDL No:
Product Description
Catalog Number:
AG001J4B
Chemical Name:
Benzoyl chloride, 4-(methylthio)-
CAS Number:
1442-06-4
Molecular Formula:
C8H7ClOS
Molecular Weight:
186.6586
IUPAC Name:
4-methylsulfanylbenzoyl chloride
InChI:
InChI=1S/C8H7ClOS/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChI Key:
MIEJPWILCQAQKT-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C(=O)Cl
EC Number:
215-882-4
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.653g/mol
Monoisotopic Mass:
185.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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