2-(4-benzylphenoxy)-5-bromoaniline

2-(4-benzylphenoxy)-5-bromoaniline

CAS: 946786-89-6

Formula: C19H16BrNO

SMILES: NC1=C(OC2=CC=C(CC3=CC=CC=C3)C=C2)C=CC(Br)=C1

IUPAC: 2-(4-benzylphenoxy)-5-bromoaniline

InChI: InChI=1S/C19H16BrNO/c20-16-8-11-19(18(21)13-16)22-17-9-6-15(7-10-17)12-14-4-2-1-3-5-14/h1-11,13H,12,21H2

Composition: C (64.42%), H (4.55%), Br (22.56%), N (3.95%), O (4.52%)

Molar Mass: 354.247

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	353.041527
Formal Charge	0
FSP3	0.05
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	WFCVUDYUKFJBCX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	94.36
Topological Polar Surface Area	35.25
Polarizability	35.81
Ring Count	3
Rotatable Bond Count	4

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