methyl 3-bromo-1H-indazole-7-carboxylate

methyl 3-bromo-1H-indazole-7-carboxylate

CAS: 1257535-37-7

Formula: C9H7BrN2O2

SMILES: COC(=O)C1=C2NN=C(Br)C2=CC=C1

IUPAC: methyl 3-bromo-1H-indazole-7-carboxylate

InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)6-4-2-3-5-7(6)11-12-8(5)10/h2-4H,1H3,(H,11,12)

Composition: C (42.38%), H (2.77%), Br (31.33%), N (10.98%), O (12.54%)

Molar Mass: 255.071

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	253.96909
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	TZGIJSHGAUIOST-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.56
Topological Polar Surface Area	54.98
Polarizability	21.95
Ring Count	2
Rotatable Bond Count	2

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99.12%	<7 Days	1257535-37-7		$11.22-$439.45$11.22$43.95$439.45

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