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1-bromo-3-hexylbenzene

1-bromo-3-hexylbenzene

CAS: 38409-59-5

Formula: C12H17Br

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

IUPAC: 1-bromo-3-hexylbenzene

InChI: InChI=1S/C12H17Br/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h6,8-10H,2-5,7H2,1H3

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 HZUVRCRPECDFAT-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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