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231632-07-8 | 5,9-Methanoimidazo[4,5-h][3]benzazepine (9CI)
CAS No: 231632-07-8 Catalog No: AG002MEZ MDL No:
Product Description
Catalog Number:
AG002MEZ
Chemical Name:
5,9-Methanoimidazo[4,5-h][3]benzazepine (9CI)
CAS Number:
231632-07-8
Molecular Formula:
C12H7N3
Molecular Weight:
193.2041
IUPAC Name:
5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-1(14),2,4,6,8,10,12-heptaene
InChI:
InChI=1S/C12H7N3/c1-7-4-13-5-8(1)10-3-12-11(2-9(7)10)14-6-15-12/h2-6H,1H2
InChI Key:
YKVPSPDUUIOESC-UHFFFAOYSA-N
SMILES:
n1cc2Cc(c1)c1c2cc2c(c1)ncn2
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.209g/mol
Monoisotopic Mass:
193.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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