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19862-88-5 | 7H-Dibenz[b,d]azepin-7-one, 6-ethoxy-
CAS No: 19862-88-5 Catalog No: AG002BN6 MDL No:
Product Description
Catalog Number:
AG002BN6
Chemical Name:
7H-Dibenz[b,d]azepin-7-one, 6-ethoxy-
CAS Number:
19862-88-5
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
6-ethoxybenzo[d][1]benzazepin-7-one
InChI:
InChI=1S/C16H13NO2/c1-2-19-16-15(18)13-9-4-3-7-11(13)12-8-5-6-10-14(12)17-16/h3-10H,2H2,1H3
InChI Key:
WWJARZFAVYEIRI-UHFFFAOYSA-N
SMILES:
CCOc1nc2ccccc2c2c(c1=O)cccc2
NSC Number:
137453
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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