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3-methyl-5-nitro-1H-indole-2-carboxylic acid

3-methyl-5-nitro-1H-indole-2-carboxylic acid

CAS: 446830-73-5

Formula: C10H8N2O4

SMILES: CC1=C(NC2=CC=C(C=C12)[N+]([O-])=O)C(O)=O

IUPAC: 3-methyl-5-nitro-1H-indole-2-carboxylic acid

InChI: InChI=1S/C10H8N2O4/c1-5-7-4-6(12(15)16)2-3-8(7)11-9(5)10(13)14/h2-4,11H,1H3,(H,13,14)

Composition: C (54.55%), H (3.66%), N (12.72%), O (29.06%)

Molar Mass: 220.184

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 220.048406746
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey BUWLROXHVDVDKY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.64
Topological Polar Surface Area 96.23
Polarizability 21.53
Ring Count 2
Rotatable Bond Count 2

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95% <2 Days 446830-73-5 $756.14$756.14
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