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138666-59-8 | Hydrogen tribromide, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)
CAS No: 138666-59-8 Catalog No: AG0018YV MDL No:MFCD00191982
Product Description
Catalog Number:
AG0018YV
Chemical Name:
Hydrogen tribromide, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)
CAS Number:
138666-59-8
MDL Number:
MFCD00191982
IUPAC Name:
molecular bromine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;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
InChI Key:
QRUHFOGNKQZFMD-UHFFFAOYSA-N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.892g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.961g/mol
Monoisotopic Mass:
389.894g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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