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1-bromo-3-tert-butyl-5-chlorobenzene

1-bromo-3-tert-butyl-5-chlorobenzene

CAS: 1263377-20-3

Formula: C10H12BrCl

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

IUPAC: 1-bromo-3-tert-butyl-5-chlorobenzene

InChI: InChI=1S/C10H12BrCl/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,1-3H3

Composition: C (48.52%), H (4.89%), Br (32.28%), Cl (14.32%)

Molar Mass: 247.56

Atom Count: 24

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 245.981091
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey SAYKHJKPYKRMAG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.15
Topological Polar Surface Area 0
Polarizability 22.24
Ring Count 1
Rotatable Bond Count 1

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