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3-bromo-4-methoxy-5-methylaniline hydrochloride

3-bromo-4-methoxy-5-methylaniline hydrochloride

CAS: 1215205-12-1

Formula: C8H11BrClNO

SMILES: Cl.COC1=C(C)C=C(N)C=C1Br

IUPAC: 3-bromo-4-methoxy-5-methylaniline hydrochloride

InChI: InChI=1S/C8H10BrNO.ClH/c1-5-3-6(10)4-7(9)8(5)11-2;/h3-4H,10H2,1-2H3;1H

Composition: C (38.05%), H (4.39%), Br (31.64%), Cl (14.04%), N (5.55%), O (6.34%)

Molar Mass: 252.54

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 250.971255
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QLSIOZTUFWDWDM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.89
Topological Polar Surface Area 35.25
Polarizability 18.57
Ring Count 1
Rotatable Bond Count 1

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