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89718-94-5 | 1,4-Benzoxazepinium, 2,3-dihydro-4-methyl-5-phenyl-, iodide
CAS No: 89718-94-5 Catalog No: AG0042KN MDL No:
Product Description
Catalog Number:
AG0042KN
Chemical Name:
1,4-Benzoxazepinium, 2,3-dihydro-4-methyl-5-phenyl-, iodide
CAS Number:
89718-94-5
Molecular Formula:
C16H16INO
Molecular Weight:
365.2088
IUPAC Name:
4-methyl-5-phenyl-2,3-dihydro-1,4-benzoxazepin-4-ium;iodide
InChI:
InChI=1S/C16H16NO.HI/c1-17-11-12-18-15-10-6-5-9-14(15)16(17)13-7-3-2-4-8-13;/h2-10H,11-12H2,1H3;1H/q+1;/p-1
InChI Key:
GJDOPWWHNKOBAF-UHFFFAOYSA-M
SMILES:
C[N+]1=C(c2ccccc2)c2ccccc2OCC1.[I-]
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.214g/mol
Monoisotopic Mass:
365.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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