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24009-78-7 | 1-phenyl-1a,8b-dihydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-2(1h)-one
CAS No: 24009-78-7 Catalog No: AG006XNG MDL No:
Product Description
Catalog Number:
AG006XNG
Chemical Name:
1-phenyl-1a,8b-dihydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-2(1h)-one
CAS Number:
24009-78-7
Molecular Formula:
C17H12N2O
Molecular Weight:
260.2900
IUPAC Name:
5-phenyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(13),7,9,11-tetraen-3-one
InChI:
InChI=1S/C17H12N2O/c20-17-16-15(18(16)12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)19(14)17/h1-10,15-16H
InChI Key:
JRJUORGJVRTMOH-UHFFFAOYSA-N
SMILES:
O=C1C2N(C2c2n1c1ccccc1c2)c1ccccc1
NSC Number:
136606
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.296g/mol
Monoisotopic Mass:
260.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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