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4-bromo-1H-indole-2-carbaldehyde

4-bromo-1H-indole-2-carbaldehyde

CAS: 1368231-70-2

Formula: C9H6BrNO

SMILES: BrC1=C2C=C(NC2=CC=C1)C=O

IUPAC: 4-bromo-1H-indole-2-carbaldehyde

InChI: InChI=1S/C9H6BrNO/c10-8-2-1-3-9-7(8)4-6(5-12)11-9/h1-5,11H

Composition: C (48.25%), H (2.70%), Br (35.66%), N (6.25%), O (7.14%)

Molar Mass: 224.057

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 222.963277
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey QMULHCUEKZWWSC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.23
Topological Polar Surface Area 32.86
Polarizability 20.16
Ring Count 2
Rotatable Bond Count 1

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98.64% <7 Days 1368231-70-2 $65.45-$1,382.87$65.45$79.48$276.76$1,382.87
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98% <7 Days 1368231-70-2 $67.28-$1,089.86$67.28$122.13$363.29$1,089.86
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96% <6 Days 1368231-70-2 $182.85-$1,288.00$182.85$431.25$1,288.00
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96% <5 Days 1368231-70-2 $237.07-$1,722.53$237.07$577.54$1,722.53
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