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23327-57-3 | 1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-, hydrochloride (1:1)
CAS No: 23327-57-3 Catalog No: AG002MVZ MDL No:MFCD00012750
Product Description
Catalog Number:
AG002MVZ
Chemical Name:
1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-, hydrochloride (1:1)
CAS Number:
23327-57-3
Molecular Formula:
C17H20ClNO
Molecular Weight:
289.7998
MDL Number:
MFCD00012750
IUPAC Name:
5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine;hydrochloride
InChI:
InChI=1S/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H
InChI Key:
CNNVSINJDJNHQK-UHFFFAOYSA-N
SMILES:
CN1CCOC(c2c(C1)cccc2)c1ccccc1.Cl
EC Number:
245-585-5
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.123g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.803g/mol
Monoisotopic Mass:
289.123g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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