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5-bromo-2-(4-tert-butylphenoxy)aniline

5-bromo-2-(4-tert-butylphenoxy)aniline

CAS: 946700-34-1

Formula: C16H18BrNO

SMILES: CC(C)(C)C1=CC=C(OC2=C(N)C=C(Br)C=C2)C=C1

IUPAC: 5-bromo-2-(4-tert-butylphenoxy)aniline

InChI: InChI=1S/C16H18BrNO/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(17)10-14(15)18/h4-10H,18H2,1-3H3

Composition: C (60.01%), H (5.67%), Br (24.95%), N (4.37%), O (5.00%)

Molar Mass: 320.23

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 319.057177
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey YIOGUXOWOUMLHU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.29
Topological Polar Surface Area 35.25
Polarizability 31.76
Ring Count 2
Rotatable Bond Count 3

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