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16303-14-3 | 1,3-Benzoxazepine, 2-phenyl-
CAS No: 16303-14-3 Catalog No: AG001TMQ MDL No:
Product Description
Catalog Number:
AG001TMQ
Chemical Name:
1,3-Benzoxazepine, 2-phenyl-
CAS Number:
16303-14-3
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
2-phenyl-1,3-benzoxazepine
InChI:
InChI=1S/C15H11NO/c1-2-7-13(8-3-1)15-16-11-10-12-6-4-5-9-14(12)17-15/h1-11H
InChI Key:
PJYKELMPEVFCON-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NC=Cc2c(O1)cccc2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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