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19557-10-9 | IMIDAZO[1,5,4-EF][1,5]BENZODIAZEPINE
CAS No: 19557-10-9 Catalog No: AG007484 MDL No:
Product Description
Catalog Number:
AG007484
Chemical Name:
IMIDAZO[1,5,4-EF][1,5]BENZODIAZEPINE
CAS Number:
19557-10-9
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
IUPAC Name:
1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,9,11-hexaene
InChI:
InChI=1S/C10H7N3/c1-3-8-10-9(4-1)12-7-13(10)6-2-5-11-8/h1-7H
InChI Key:
HKWVEQBVDZXBQG-UHFFFAOYSA-N
SMILES:
c1ccn2c3c(n1)cccc3nc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.187g/mol
Monoisotopic Mass:
169.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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