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2H,3H,4H,6H,7H,8H,9H,10H-pyrimido[1,2-a]azepine dibromine hydrobromide

2H,3H,4H,6H,7H,8H,9H,10H-pyrimido[1,2-a]azepine dibromine hydrobromide

CAS: 138666-59-8

Formula: C9H17Br3N2

SMILES: Br.BrBr.C1CN=C2CCCCCN2C1

IUPAC: 2H,3H,4H,6H,7H,8H,9H,10H-pyrimido[1,2-a]azepine dibromine hydrobromide

InChI: InChI=1S/C9H16N2.Br2.BrH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-2;/h1-8H2;;1H

Composition: C (27.51%), H (4.36%), Br (61.00%), N (7.13%)

Molar Mass: 392.961

Atom Count: 31

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 389.894188
Formal Charge 0
FSP3 0.89
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QRUHFOGNKQZFMD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.6
Topological Polar Surface Area 15.6
Polarizability 17.71
Ring Count 2
Rotatable Bond Count 0

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