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4-Bromo-4'-butylbiphenyl

Catalog Number
ACM63619545
CAS Number
63619-54-5
Product Name
4-Bromo-4'-butylbiphenyl
Structure
Category
Liquid Crystal (LC) Materials
Synonyms
4-Bromo-4'-butyl-1,1'-biphenyl;4-Butyl-4'-bromobiphenyl
IUPAC Name
1-bromo-4-(4-butylphenyl)benzene
Molecular Weight
289.21g/mol
Molecular Formula
C16H17Br
Canonical SMILES
CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C16H17Br/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h5-12H,2-4H2,1H3
InChI Key
KAWPTSPOSZBAHH-UHFFFAOYSA-N
Density
1.221
Complexity
198
Covalently-Bonded Unit Count
1
Exact Mass
288.05136g/mol
Formal Charge
0
Heavy Atom Count
17
Monoisotopic Mass
288.05136g/mol
Rotatable Bond Count
4
XLogP3
6
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