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Home > Bromides > 1363381-41-2
1363381-41-2 | 1H-Indazole-3-carboxylic acid, 5-bromo-1-methyl-, methyl ester
CAS No: 1363381-41-2 Catalog No: AG0011OJ MDL No:
Product Description
Catalog Number:
AG0011OJ
Chemical Name:
1H-Indazole-3-carboxylic acid, 5-bromo-1-methyl-, methyl ester
CAS Number:
1363381-41-2
Molecular Formula:
C10H9BrN2O2
Molecular Weight:
269.0947
IUPAC Name:
methyl 5-bromo-1-methylindazole-3-carboxylate
InChI:
InChI=1S/C10H9BrN2O2/c1-13-8-4-3-6(11)5-7(8)9(12-13)10(14)15-2/h3-5H,1-2H3
InChI Key:
LUFFZUUZKALCOA-UHFFFAOYSA-N
SMILES:
Cn1nc(c2c1ccc(c2)Br)C(=O)OC
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.098g/mol
Monoisotopic Mass:
267.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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