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Home > Bromides > 1675201-90-7
1675201-90-7 | 1-[[3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl]methyl]-2-piperidinecarboxylicacid
CAS No: 1675201-90-7 Catalog No: AG01EPQ9 MDL No:
Product Description
Catalog Number:
AG01EPQ9
Chemical Name:
1-[[3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl]methyl]-2-piperidinecarboxylicacid
CAS Number:
1675201-90-7
Molecular Formula:
C27H28BrNO3
Molecular Weight:
494.4201
IUPAC Name:
1-[[3-bromo-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid
InChI:
InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31)
InChI Key:
QRXBPPWUGITQLE-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCN1Cc1ccc(c(c1)Br)OCc1cccc(c1C)c1ccccc1
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.125g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
494.429g/mol
Monoisotopic Mass:
493.125g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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