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4-bromo-3-methyl-1,1'-biphenyl

4-bromo-3-methyl-1,1'-biphenyl

CAS: 92022-07-6

Formula: C13H11Br

SMILES: CC1=CC(=CC=C1Br)C1=CC=CC=C1

IUPAC: 4-bromo-3-methyl-1,1'-biphenyl

InChI: InChI=1S/C13H11Br/c1-10-9-12(7-8-13(10)14)11-5-3-2-4-6-11/h2-9H,1H3

Composition: C (63.18%), H (4.49%), Br (32.33%)

Molar Mass: 247.135

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 246.004413
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey XYXSPXSTVLIYNL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.86
Topological Polar Surface Area 0
Polarizability 25.68
Ring Count 2
Rotatable Bond Count 1

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