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N-benzyl-3-bromoaniline

N-benzyl-3-bromoaniline

CAS: 213814-61-0

Formula: C13H12BrN

SMILES: BrC1=CC=CC(NCC2=CC=CC=C2)=C1

IUPAC: N-benzyl-3-bromoaniline

InChI: InChI=1S/C13H12BrN/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2

Composition: C (59.56%), H (4.61%), Br (30.48%), N (5.34%)

Molar Mass: 262.15

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 261.015312
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey NUZUUCXESJBUMX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.49
Topological Polar Surface Area 12.03
Polarizability 25.57
Ring Count 2
Rotatable Bond Count 3

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