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137-64-4 | Benzoic acid, 2-chloro-5-(chlorosulfonyl)-
CAS No: 137-64-4 Catalog No: AG0012P5 MDL No:MFCD00024881
Product Description
Catalog Number:
AG0012P5
Chemical Name:
Benzoic acid, 2-chloro-5-(chlorosulfonyl)-
CAS Number:
137-64-4
Molecular Formula:
C7H4Cl2O4S
Molecular Weight:
255.0753
MDL Number:
MFCD00024881
IUPAC Name:
2-chloro-5-chlorosulfonylbenzoic acid
InChI:
InChI=1S/C7H4Cl2O4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key:
CLHNTBSDCJLCKV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1Cl)S(=O)(=O)Cl
EC Number:
205-303-3
NSC Number:
137839
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.921g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.065g/mol
Monoisotopic Mass:
253.921g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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