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4867-37-2 | 3-Chlorothioanisole
CAS No: 4867-37-2 Catalog No: AG003JBR MDL No:MFCD00040127
Product Description
Catalog Number:
AG003JBR
Chemical Name:
3-Chlorothioanisole
CAS Number:
4867-37-2
Molecular Formula:
C7H7ClS
Molecular Weight:
158.6485
MDL Number:
MFCD00040127
IUPAC Name:
1-chloro-3-methylsulfanylbenzene
InChI:
InChI=1S/C7H7ClS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChI Key:
PTGSDZVASWKUHK-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)Cl
NSC Number:
133796
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.996g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.643g/mol
Monoisotopic Mass:
157.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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