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Home > Pyridines > 338422-80-3
338422-80-3 | 2-hydroxyphenyl N-[(pyridin-3-yl)methyl]sulfamate
CAS No: 338422-80-3 Catalog No: AG00ITUC MDL No:MFCD00792983
Product Description
Catalog Number:
AG00ITUC
Chemical Name:
2-hydroxyphenyl N-[(pyridin-3-yl)methyl]sulfamate
CAS Number:
338422-80-3
Molecular Formula:
C12H12N2O4S
Molecular Weight:
280.2997
MDL Number:
MFCD00792983
IUPAC Name:
(2-hydroxyphenyl) N-(pyridin-3-ylmethyl)sulfamate
InChI:
InChI=1S/C12H12N2O4S/c15-11-5-1-2-6-12(11)18-19(16,17)14-9-10-4-3-7-13-8-10/h1-8,14-15H,9H2
InChI Key:
LTPITQYBPAEDIK-UHFFFAOYSA-N
SMILES:
Oc1ccccc1OS(=O)(=O)NCc1cccnc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.298g/mol
Monoisotopic Mass:
280.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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