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3-bromo-4-tert-butylaniline

3-bromo-4-tert-butylaniline

CAS: 103275-21-4

Formula: C10H14BrN

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

IUPAC: 3-bromo-4-tert-butylaniline

InChI: InChI=1S/C10H14BrN/c1-10(2,3)8-5-4-7(12)6-9(8)11/h4-6H,12H2,1-3H3

Composition: C (52.65%), H (6.19%), Br (35.03%), N (6.14%)

Molar Mass: 228.133

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.030962
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey AXNHKDCJNXKFFT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.05
Topological Polar Surface Area 26.02
Polarizability 21.47
Ring Count 1
Rotatable Bond Count 1

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