1-bromo-3-octylbenzene

1-bromo-3-octylbenzene

CAS: 663949-34-6

Formula: C14H21Br

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

IUPAC: 1-bromo-3-octylbenzene

InChI: InChI=1S/C14H21Br/c1-2-3-4-5-6-7-9-13-10-8-11-14(15)12-13/h8,10-12H,2-7,9H2,1H3

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	SVXNIBGYTOIBPP-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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