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894587-22-5 | N-(4-chlorobenzyl)-5-methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
CAS No: 894587-22-5 Catalog No: AG00H4DQ MDL No:
Product Description
Catalog Number:
AG00H4DQ
Chemical Name:
N-(4-chlorobenzyl)-5-methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
CAS Number:
894587-22-5
IUPAC Name:
N-[(4-chlorophenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
InChI:
InChI=1S/C16H17ClN2O2/c1-10-2-7-14-13(8-10)15(19-21-14)16(20)18-9-11-3-5-12(17)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,18,20)
InChI Key:
WTFSVBXXTKMDEX-UHFFFAOYSA-N
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.774g/mol
Monoisotopic Mass:
304.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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