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13150-73-7 | Benzene, 1-chloro-3-(methylsulfinyl)-
CAS No: 13150-73-7 Catalog No: AG000ZAJ MDL No:MFCD18785701
Product Description
Catalog Number:
AG000ZAJ
Chemical Name:
Benzene, 1-chloro-3-(methylsulfinyl)-
CAS Number:
13150-73-7
Molecular Formula:
C7H7ClOS
Molecular Weight:
174.6479
MDL Number:
MFCD18785701
IUPAC Name:
1-chloro-3-methylsulfinylbenzene
InChI:
InChI=1S/C7H7ClOS/c1-10(9)7-4-2-3-6(8)5-7/h2-5H,1H3
InChI Key:
FTZNJCGVVUVWFH-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)S(=O)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.991g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.642g/mol
Monoisotopic Mass:
173.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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