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130047-14-2 | BENZOIC ACID, 4-[(CHLOROSULFONYL)METHYL]-, METHYL ESTER
CAS No: 130047-14-2 Catalog No: AG000TXK MDL No:MFCD07778383
Product Description
Catalog Number:
AG000TXK
Chemical Name:
BENZOIC ACID, 4-[(CHLOROSULFONYL)METHYL]-, METHYL ESTER
CAS Number:
130047-14-2
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
MDL Number:
MFCD07778383
IUPAC Name:
methyl 4-(chlorosulfonylmethyl)benzoate
InChI:
InChI=1S/C9H9ClO4S/c1-14-9(11)8-4-2-7(3-5-8)6-15(10,12)13/h2-5H,6H2,1H3
InChI Key:
VTQZPLOSFBIFGF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)CS(=O)(=O)Cl
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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