3-bromo-N,N-bis(4-methylphenyl)aniline

3-bromo-N,N-bis(4-methylphenyl)aniline

CAS: 845526-91-2

Formula: C20H18BrN

SMILES: CC1=CC=C(C=C1)N(C1=CC=C(C)C=C1)C1=CC(Br)=CC=C1

IUPAC: 3-bromo-N,N-bis(4-methylphenyl)aniline

InChI: InChI=1S/C20H18BrN/c1-15-6-10-18(11-7-15)22(19-12-8-16(2)9-13-19)20-5-3-4-17(21)14-20/h3-14H,1-2H3

Composition: C (68.19%), H (5.15%), Br (22.68%), N (3.98%)

Molar Mass: 352.275

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	351.062263
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LBLFZUNRAGUAFR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	96.92
Topological Polar Surface Area	3.24
Polarizability	36.81
Ring Count	3
Rotatable Bond Count	3

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