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2-bromo-N-[(4-methoxyphenyl)methyl]aniline

2-bromo-N-[(4-methoxyphenyl)methyl]aniline

CAS: 156643-23-1

Formula: C14H14BrNO

SMILES: COC1=CC=C(CNC2=C(Br)C=CC=C2)C=C1

IUPAC: 2-bromo-N-[(4-methoxyphenyl)methyl]aniline

InChI: InChI=1S/C14H14BrNO/c1-17-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15/h2-9,16H,10H2,1H3

Composition: C (57.55%), H (4.83%), Br (27.35%), N (4.79%), O (5.48%)

Molar Mass: 292.176

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 291.025877
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AOYYERKBQULAPK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.95
Topological Polar Surface Area 21.26
Polarizability 28.12
Ring Count 2
Rotatable Bond Count 4

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