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950684-23-8 | 1H-IMIDAZO[4,5-B][1,4]DIAZOCINE
CAS No: 950684-23-8 Catalog No: AG0066IK MDL No:MFCD18808118
Product Description
Catalog Number:
AG0066IK
Chemical Name:
1H-IMIDAZO[4,5-B][1,4]DIAZOCINE
CAS Number:
950684-23-8
Molecular Formula:
C7H6N4
Molecular Weight:
146.1493
MDL Number:
MFCD18808118
IUPAC Name:
1H-imidazo[4,5-b][1,4]diazocine
InChI:
InChI=1S/C7H6N4/c1-2-4-9-7-6(8-3-1)10-5-11-7/h1-5H,(H,8,9,10,11)
InChI Key:
WCLAZAOJBVOOFG-UHFFFAOYSA-N
SMILES:
C1=CN=c2c(=NC=C1)nc[nH]2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.153g/mol
Monoisotopic Mass:
146.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.5
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