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130474-49-6 | 1,1'-Biphenyl, 4-[(5-bromopentyl)oxy]-4'-methoxy-
CAS No: 130474-49-6 Catalog No: AG000UGY MDL No:
Product Description
Catalog Number:
AG000UGY
Chemical Name:
1,1'-Biphenyl, 4-[(5-bromopentyl)oxy]-4'-methoxy-
CAS Number:
130474-49-6
Molecular Formula:
C18H21BrO2
Molecular Weight:
349.2621
IUPAC Name:
1-(5-bromopentoxy)-4-(4-methoxyphenyl)benzene
InChI:
InChI=1S/C18H21BrO2/c1-20-17-9-5-15(6-10-17)16-7-11-18(12-8-16)21-14-4-2-3-13-19/h5-12H,2-4,13-14H2,1H3
InChI Key:
NLNGECSEFVJODC-UHFFFAOYSA-N
SMILES:
BrCCCCCOc1ccc(cc1)c1ccc(cc1)OC
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.268g/mol
Monoisotopic Mass:
348.072g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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