Name: Name:1H-Indazole-1-carboxylic acid, 5-bromo-6-methyl-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000UL0
Rating: 90 (10 reviews)

1H-Indazole-1-carboxylic acid, 5-bromo-6-methyl-, 1,1-dimethylethyl ester

CAS No.:

1305320-67-5

Catalog Number:

AG000UL0

Molecular Formula:

C13H15BrN2O2

Molecular Weight:

311.1744

Catalog Number:

AG000UL0

Chemical Name:

1H-Indazole-1-carboxylic acid, 5-bromo-6-methyl-, 1,1-dimethylethyl ester

CAS Number:

1305320-67-5

Molecular Formula:

C13H15BrN2O2

Molecular Weight:

311.1744

MDL Number:

MFCD16628189

IUPAC Name:

tert-butyl 5-bromo-6-methylindazole-1-carboxylate

InChI:

InChI=1S/C13H15BrN2O2/c1-8-5-11-9(6-10(8)14)7-15-16(11)12(17)18-13(2,3)4/h5-7H,1-4H3

InChI Key:

CUFCMTNSJUKKRT-UHFFFAOYSA-N

SMILES:

Brc1cc2cnn(c2cc1C)C(=O)OC(C)(C)C

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.179g/mol

Monoisotopic Mass:

310.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9