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110439-49-1 | 1-(4-Bromobenzyl)azepane
CAS No: 110439-49-1 Catalog No: AG01EQQW MDL No:
Product Description
Catalog Number:
AG01EQQW
Chemical Name:
1-(4-Bromobenzyl)azepane
CAS Number:
110439-49-1
Molecular Formula:
C13H18BrN
Molecular Weight:
268.1927
IUPAC Name:
1-[(4-bromophenyl)methyl]azepane
InChI:
InChI=1S/C13H18BrN/c14-13-7-5-12(6-8-13)11-15-9-3-1-2-4-10-15/h5-8H,1-4,9-11H2
InChI Key:
GAWAKTWTCWDBEU-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CN1CCCCCC1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.198g/mol
Monoisotopic Mass:
267.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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