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88806-05-7 | 1H-Azepine, 1-(3-bromopropyl)hexahydro-, hydrobromide
CAS No: 88806-05-7 Catalog No: AG004AHA MDL No:
Product Description
Catalog Number:
AG004AHA
Chemical Name:
1H-Azepine, 1-(3-bromopropyl)hexahydro-, hydrobromide
CAS Number:
88806-05-7
Molecular Formula:
C9H19Br2N
Molecular Weight:
301.0619
IUPAC Name:
1-(3-bromopropyl)azepane;hydrobromide
InChI:
InChI=1S/C9H18BrN.BrH/c10-6-5-9-11-7-3-1-2-4-8-11;/h1-9H2;1H
InChI Key:
PARZRFSRQOXPAQ-UHFFFAOYSA-N
SMILES:
BrCCCN1CCCCCC1.Br
Properties
Complexity:
87.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.066g/mol
Monoisotopic Mass:
298.988g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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