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85392-01-4 | Methyl 4-chloro-2-(chlorosulfonyl)benzoate
CAS No: 85392-01-4 Catalog No: AG004TMG MDL No:MFCD07368143
Product Description
Catalog Number:
AG004TMG
Chemical Name:
Methyl 4-chloro-2-(chlorosulfonyl)benzoate
CAS Number:
85392-01-4
Molecular Formula:
C8H6Cl2O4S
Molecular Weight:
269.1018
MDL Number:
MFCD07368143
IUPAC Name:
methyl 4-chloro-2-chlorosulfonylbenzoate
InChI:
InChI=1S/C8H6Cl2O4S/c1-14-8(11)6-3-2-5(9)4-7(6)15(10,12)13/h2-4H,1H3
InChI Key:
AKVPERSFJZUJKD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1S(=O)(=O)Cl)Cl
EC Number:
286-858-9
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.936g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.092g/mol
Monoisotopic Mass:
267.936g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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