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Home > Imidazoles > 185840-21-5
185840-21-5 | 6H-1,3,5-Trioxepino[6,7-f]benzimidazole(9CI)
CAS No: 185840-21-5 Catalog No: AG0076C5 MDL No:MFCD27957535
Product Description
Catalog Number:
AG0076C5
Chemical Name:
6H-1,3,5-Trioxepino[6,7-f]benzimidazole(9CI)
CAS Number:
185840-21-5
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD27957535
IUPAC Name:
10H-[1,3,5]trioxepino[6,7-f]benzimidazole
InChI:
InChI=1S/C9H8N2O3/c1-6-7(11-3-10-6)2-9-8(1)13-4-12-5-14-9/h1,3H,2,4-5H2
InChI Key:
JGJQARBWMCQMKN-UHFFFAOYSA-N
SMILES:
O1COC2=C(OC1)CC1=NC=NC1=C2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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