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1246455-98-0 | 1,4-Oxazepine, hexahydro-5-phenyl-, hydrochloride (1:1)
CAS No: 1246455-98-0 Catalog No: AG000MIV MDL No:
Product Description
Catalog Number:
AG000MIV
Chemical Name:
1,4-Oxazepine, hexahydro-5-phenyl-, hydrochloride (1:1)
CAS Number:
1246455-98-0
Molecular Formula:
C11H16ClNO
Molecular Weight:
213.7038
IUPAC Name:
5-phenyl-1,4-oxazepane;hydrochloride
InChI:
InChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)11-6-8-13-9-7-12-11;/h1-5,11-12H,6-9H2;1H
InChI Key:
PHFLAQIPSNBKHA-UHFFFAOYSA-N
SMILES:
C1OCCC(NC1)c1ccccc1.Cl
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.705g/mol
Monoisotopic Mass:
213.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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