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5-bromo-6-methoxy-1H-indazole-3-carboxylic acid

5-bromo-6-methoxy-1H-indazole-3-carboxylic acid

CAS: 1134328-13-4

Formula: C9H7BrN2O3

SMILES: COC1=C(Br)C=C2C(NN=C2C(O)=O)=C1

IUPAC: 5-bromo-6-methoxy-1H-indazole-3-carboxylic acid

InChI: InChI=1S/C9H7BrN2O3/c1-15-7-3-6-4(2-5(7)10)8(9(13)14)12-11-6/h2-3H,1H3,(H,11,12)(H,13,14)

Composition: C (39.88%), H (2.60%), Br (29.48%), N (10.33%), O (17.71%)

Molar Mass: 271.07

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 269.964005
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey NVYCZOPCDLFQNX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.04
Topological Polar Surface Area 75.21
Polarizability 22.43
Ring Count 2
Rotatable Bond Count 2

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97% <2 Days 1134328-13-4 $221.95-$6,762.00$221.95$327.75$540.50$966.00$1,817.00$6,762.00
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