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1-bromo-4-hexylbenzene

1-bromo-4-hexylbenzene

CAS: 23703-22-2

Formula: C12H17Br

SMILES: CCCCCCC1=CC=C(Br)C=C1

IUPAC: 1-bromo-4-hexylbenzene

InChI: InChI=1S/C12H17Br/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6H2,1H3

Composition: C (59.76%), H (7.11%), Br (33.13%)

Molar Mass: 241.172

Atom Count: 30

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 240.051364
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey MXHOLIARBWJKCR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 61.73
Topological Polar Surface Area 0
Polarizability 23.97
Ring Count 1
Rotatable Bond Count 5

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