Structure

4-Bromo-4'-Pentylbiphenyl

CAS
63619-59-0
Catalog Number
ACM63619590
Category
Bromine Series
Molecular Weight
303.2
Molecular Formula
C17H19Br

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Specification

Synonyms
4-Bromo-4'-Pentyl-1,1'-Biphenyl
IUPAC Name
1-bromo-4-(4-pentylphenyl)benzene
Canonical SMILES
CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C17H19Br/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h6-13H,2-5H2,1H3
InChI Key
VXJTWTJULLKDPY-UHFFFAOYSA-N
Boiling Point
200-202 ºC
Melting Point
98 ºC
Complexity
210
Covalently-Bonded Unit Count
1
Exact Mass
302.06701g/mol
Formal Charge
0
H-Bond Acceptor
0
H-Bond Donor
0
Heavy Atom Count
18
Monoisotopic Mass
302.06701g/mol
Rotatable Bond Count
5
XLogP3
6.4
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