Name: Name:1H-Indazole-1-carboxylic acid, 6-broMo-4-Methoxy-, 1,1-diMethylethyl ester
Brand: Angene
SKU: AG000DFC
Rating: 90 (10 reviews)

1H-Indazole-1-carboxylic acid, 6-broMo-4-Methoxy-, 1,1-diMethylethyl ester

CAS No.:

1169789-29-0

Catalog Number:

AG000DFC

Molecular Formula:

C13H15BrN2O3

Molecular Weight:

327.1738

Catalog Number:

AG000DFC

Chemical Name:

1H-Indazole-1-carboxylic acid, 6-broMo-4-Methoxy-, 1,1-diMethylethyl ester

CAS Number:

1169789-29-0

Molecular Formula:

C13H15BrN2O3

Molecular Weight:

327.1738

MDL Number:

MFCD23134666

IUPAC Name:

tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate

InChI:

InChI=1S/C13H15BrN2O3/c1-13(2,3)19-12(17)16-10-5-8(14)6-11(18-4)9(10)7-15-16/h5-7H,1-4H3

InChI Key:

GAADFSICYFVBNI-UHFFFAOYSA-N

SMILES:

COc1cc(Br)cc2c1cnn2C(=O)OC(C)(C)C

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

326.027g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.178g/mol

Monoisotopic Mass:

326.027g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5