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pentabromoaniline

pentabromoaniline

CAS: 13665-98-0

Formula: C6H2Br5N

SMILES: NC1=C(Br)C(Br)=C(Br)C(Br)=C1Br

IUPAC: pentabromoaniline

InChI: InChI=1S/C6H2Br5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2

Composition: C (14.78%), H (0.41%), Br (81.93%), N (2.87%)

Molar Mass: 487.609

Atom Count: 14

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 482.610414
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey VPFMJGCHDCVATR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.87
Topological Polar Surface Area 26.02
Polarizability 27.09
Ring Count 1
Rotatable Bond Count 0

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