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1-bromo-4-octylbenzene

1-bromo-4-octylbenzene

CAS: 51554-93-9

Formula: C14H21Br

SMILES: CCCCCCCCC1=CC=C(Br)C=C1

IUPAC: 1-bromo-4-octylbenzene

InChI: InChI=1S/C14H21Br/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8H2,1H3

Composition: C (62.46%), H (7.86%), Br (29.68%)

Molar Mass: 269.226

Atom Count: 36

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 268.082664
Formal Charge 0
FSP3 0.57
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey OOZQSVXPBCINJF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 70.93
Topological Polar Surface Area 0
Polarizability 27.64
Ring Count 1
Rotatable Bond Count 7

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