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89739-57-1 | 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-methyl-1-phenoxy-
CAS No: 89739-57-1 Catalog No: AG004121 MDL No:
Product Description
Catalog Number:
AG004121
Chemical Name:
1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-methyl-1-phenoxy-
CAS Number:
89739-57-1
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine
InChI:
InChI=1S/C17H19NO/c1-18-12-11-14-7-5-6-10-16(14)17(13-18)19-15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3
InChI Key:
GUURDQAVUCRTBB-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C(C1)Oc1ccccc1)cccc2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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