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113599-15-8 | 1-Undecanone, 11-amino-1-(4-bromo-1-naphthalenyl)-
CAS No: 113599-15-8 Catalog No: AG000937 MDL No:
Product Description
Catalog Number:
AG000937
Chemical Name:
1-Undecanone, 11-amino-1-(4-bromo-1-naphthalenyl)-
CAS Number:
113599-15-8
Molecular Formula:
C21H28BrNO
Molecular Weight:
390.3571
IUPAC Name:
11-amino-1-(4-bromonaphthalen-1-yl)undecan-1-one
InChI:
InChI=1S/C21H28BrNO/c22-20-15-14-19(17-11-8-9-12-18(17)20)21(24)13-7-5-3-1-2-4-6-10-16-23/h8-9,11-12,14-15H,1-7,10,13,16,23H2
InChI Key:
KYLVCMQTTOQXHY-UHFFFAOYSA-N
SMILES:
NCCCCCCCCCCC(=O)c1ccc(c2c1cccc2)Br
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.135g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.365g/mol
Monoisotopic Mass:
389.135g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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