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84384-91-8 | METHYL((PYRIDIN-2-YLMETHOXY)SULFINYL)CARBAMIC ACID 3-METHYLPHENYL ESTER
CAS No: 84384-91-8 Catalog No: AG004SXE MDL No:
Product Description
Catalog Number:
AG004SXE
Chemical Name:
METHYL((PYRIDIN-2-YLMETHOXY)SULFINYL)CARBAMIC ACID 3-METHYLPHENYL ESTER
CAS Number:
84384-91-8
Molecular Formula:
C15H16N2O4S
Molecular Weight:
320.3635
IUPAC Name:
(3-methylphenyl) N-methyl-N-(pyridin-2-ylmethoxysulfinyl)carbamate
InChI:
InChI=1S/C15H16N2O4S/c1-12-6-5-8-14(10-12)21-15(18)17(2)22(19)20-11-13-7-3-4-9-16-13/h3-10H,11H2,1-2H3
InChI Key:
MTRGAROYLHAWBX-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)OC(=O)N(S(=O)OCc1ccccn1)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.363g/mol
Monoisotopic Mass:
320.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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