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5-nitro-1H-indol-2-ylboronic acid

5-nitro-1H-indol-2-ylboronic acid

CAS: 2408430-01-1

Formula: C8H7BN2O4

SMILES: OB(O)C1=CC2=CC(=CC=C2N1)[N+]([O-])=O

IUPAC: (5-nitro-1H-indol-2-yl)boronic acid

InChI: InChI=1S/C8H7BN2O4/c12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h1-4,10,12-13H

Composition: C (46.65%), H (3.43%), B (5.25%), N (13.60%), O (31.07%)

Molar Mass: 205.96

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 206.049887
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey SOLVOOAMRZZVRV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.26
Topological Polar Surface Area 99.39
Polarizability 20.62
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2408430-01-1 $631.35-$7,912.00$631.35$1,147.70$2,162.00$7,912.00
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