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7-bromo-4-methoxy-1H-indole

7-bromo-4-methoxy-1H-indole

CAS: 81224-16-0

Formula: C9H8BrNO

SMILES: COC1=C2C=CNC2=C(Br)C=C1

IUPAC: 7-bromo-4-methoxy-1H-indole

InChI: InChI=1S/C9H8BrNO/c1-12-8-3-2-7(10)9-6(8)4-5-11-9/h2-5,11H,1H3

Composition: C (47.82%), H (3.57%), Br (35.34%), N (6.20%), O (7.08%)

Molar Mass: 226.073

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 224.978927
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey WWKHWWGUJPWWDF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.23
Topological Polar Surface Area 25.02
Polarizability 20.76
Ring Count 2
Rotatable Bond Count 1

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