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89610-80-0 | Sulfuric acid, 2-chlorophenyl methyl ester
CAS No: 89610-80-0 Catalog No: AG003XFH MDL No:
Product Description
Catalog Number:
AG003XFH
Chemical Name:
Sulfuric acid, 2-chlorophenyl methyl ester
CAS Number:
89610-80-0
Molecular Formula:
C7H7ClO4S
Molecular Weight:
222.6461
IUPAC Name:
(2-chlorophenyl) methyl sulfate
InChI:
InChI=1S/C7H7ClO4S/c1-11-13(9,10)12-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key:
HLIHDHNJCPNYRL-UHFFFAOYSA-N
SMILES:
COS(=O)(=O)Oc1ccccc1Cl
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.975g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.639g/mol
Monoisotopic Mass:
221.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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