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83056-32-0 | METHYL 2-(ISOCYANATOSULFONYLMETHYL)BENZOATE
CAS No: 83056-32-0 Catalog No: AG005C89 MDL No:
Product Description
Catalog Number:
AG005C89
Chemical Name:
METHYL 2-(ISOCYANATOSULFONYLMETHYL)BENZOATE
CAS Number:
83056-32-0
Molecular Formula:
C10H9NO5S
Molecular Weight:
255.2472
IUPAC Name:
methyl 2-(isocyanatosulfonylmethyl)benzoate
InChI:
InChI=1S/C10H9NO5S/c1-16-10(13)9-5-3-2-4-8(9)6-17(14,15)11-7-12/h2-5H,6H2,1H3
InChI Key:
HPFGDWSUQHUCBU-UHFFFAOYSA-N
SMILES:
O=C=NS(=O)(=O)Cc1ccccc1C(=O)OC
EC Number:
410-900-9
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.02g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.244g/mol
Monoisotopic Mass:
255.02g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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