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180915-95-1 | Pyrrolidine, 1-[2-[4-(2-bromo-3,4-dihydro-6-methoxy-1-naphthalenyl)phenoxy]ethyl]-
CAS No: 180915-95-1 Catalog No: AG0022GN MDL No:
Product Description
Catalog Number:
AG0022GN
Chemical Name:
Pyrrolidine, 1-[2-[4-(2-bromo-3,4-dihydro-6-methoxy-1-naphthalenyl)phenoxy]ethyl]-
CAS Number:
180915-95-1
Molecular Formula:
C23H26BrNO2
Molecular Weight:
428.3620
IUPAC Name:
1-[2-[4-(2-bromo-6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
InChI:
InChI=1S/C23H26BrNO2/c1-26-20-9-10-21-18(16-20)6-11-22(24)23(21)17-4-7-19(8-5-17)27-15-14-25-12-2-3-13-25/h4-5,7-10,16H,2-3,6,11-15H2,1H3
InChI Key:
SRSIBTJGQWSANT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCC(=C2c1ccc(cc1)OCCN1CCCC1)Br
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.115g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.37g/mol
Monoisotopic Mass:
427.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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