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331855-50-6 | 1-(2-Bromobenzyl)azepane
CAS No: 331855-50-6 Catalog No: AG01EUZF MDL No:
Product Description
Catalog Number:
AG01EUZF
Chemical Name:
1-(2-Bromobenzyl)azepane
CAS Number:
331855-50-6
Molecular Formula:
C13H18BrN
Molecular Weight:
268.1927
IUPAC Name:
1-[(2-bromophenyl)methyl]azepane
InChI:
InChI=1S/C13H18BrN/c14-13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2
InChI Key:
XSKQXJQSTMJABQ-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CN1CCCCCC1
Properties
Complexity:
175
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
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