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502182-56-1 | METHYL 2-(MORPHOLINOSULFONYL)BENZOATE
CAS No: 502182-56-1 Catalog No: AG00DCYB MDL No:MFCD09879985
Product Description
Catalog Number:
AG00DCYB
Chemical Name:
METHYL 2-(MORPHOLINOSULFONYL)BENZOATE
CAS Number:
502182-56-1
Molecular Formula:
C12H15NO5S
Molecular Weight:
285.3162
MDL Number:
MFCD09879985
IUPAC Name:
methyl 2-morpholin-4-ylsulfonylbenzoate
InChI:
InChI=1S/C12H15NO5S/c1-17-12(14)10-4-2-3-5-11(10)19(15,16)13-6-8-18-9-7-13/h2-5H,6-9H2,1H3
InChI Key:
FJLVVZZMDOHEEM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1S(=O)(=O)N1CCOCC1
NSC Number:
372530
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.314g/mol
Monoisotopic Mass:
285.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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