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894589-14-1 | N-(2-chlorobenzyl)-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
CAS No: 894589-14-1 Catalog No: AG00H4DS MDL No:
Product Description
Catalog Number:
AG00H4DS
Chemical Name:
N-(2-chlorobenzyl)-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
CAS Number:
894589-14-1
IUPAC Name:
N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
InChI:
InChI=1S/C15H15ClN2O2/c16-12-7-3-1-5-10(12)9-17-15(19)14-11-6-2-4-8-13(11)20-18-14/h1,3,5,7H,2,4,6,8-9H2,(H,17,19)
InChI Key:
VVXWMPPZJHPAJC-UHFFFAOYSA-N
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.747g/mol
Monoisotopic Mass:
290.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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