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2122800-11-5 | 1-(Methylsulfonyl)benzene-4-D
CAS No: 2122800-11-5 Catalog No: AG01FLN7 MDL No:
Product Description
Catalog Number:
AG01FLN7
Chemical Name:
1-(Methylsulfonyl)benzene-4-D
CAS Number:
2122800-11-5
IUPAC Name:
methylsulfonylbenzene
InChI:
InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key:
JCDWETOKTFWTHA-UHFFFAOYSA-N
EC Number:
221-476-8
UNII:
150B65AI4O
NSC Number:
41587
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.199g/mol
Monoisotopic Mass:
156.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
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