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827614-85-7 | Isothiazole, 4,5-dihydro-5-[(phenylmethoxy)methyl]-
CAS No: 827614-85-7 Catalog No: AG0056NK MDL No:
Product Description
Catalog Number:
AG0056NK
Chemical Name:
Isothiazole, 4,5-dihydro-5-[(phenylmethoxy)methyl]-
CAS Number:
827614-85-7
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
IUPAC Name:
5-(phenylmethoxymethyl)-4,5-dihydro-1,2-thiazole
InChI:
InChI=1S/C11H13NOS/c1-2-4-10(5-3-1)8-13-9-11-6-7-12-14-11/h1-5,7,11H,6,8-9H2
InChI Key:
YLQWGDWNDTWAJF-UHFFFAOYSA-N
SMILES:
O(Cc1ccccc1)CC1CC=NS1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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