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6-bromo-1H-indol-4-yl formate

6-bromo-1H-indol-4-yl formate

CAS: 898746-91-3

Formula: C9H6BrNO2

SMILES: BrC1=CC(OC=O)=C2C=CNC2=C1

IUPAC: 6-bromo-1H-indol-4-yl formate

InChI: InChI=1S/C9H6BrNO2/c10-6-3-8-7(1-2-11-8)9(4-6)13-5-12/h1-5,11H

Composition: C (45.03%), H (2.52%), Br (33.29%), N (5.83%), O (13.33%)

Molar Mass: 240.056

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 238.958191
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey VGEIGZMRCLGGMN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.41
Topological Polar Surface Area 42.09
Polarizability 20.9
Ring Count 2
Rotatable Bond Count 2

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