Name: Name:6-Benzothiazolecarboxylic acid, 2-amino-4-bromo-, methyl ester
Brand: Angene
SKU: AG000G3I
Rating: 90 (10 reviews)

6-Benzothiazolecarboxylic acid, 2-amino-4-bromo-, methyl ester

CAS No.:

1155287-27-6

Catalog Number:

AG000G3I

Molecular Formula:

C9H7BrN2O2S

Molecular Weight:

287.1331

Catalog Number:

AG000G3I

Chemical Name:

6-Benzothiazolecarboxylic acid, 2-amino-4-bromo-, methyl ester

CAS Number:

1155287-27-6

Molecular Formula:

C9H7BrN2O2S

Molecular Weight:

287.1331

MDL Number:

MFCD27959303

IUPAC Name:

methyl 2-amino-4-bromo-1,3-benzothiazole-6-carboxylate

InChI:

InChI=1S/C9H7BrN2O2S/c1-14-8(13)4-2-5(10)7-6(3-4)15-9(11)12-7/h2-3H,1H3,(H2,11,12)

InChI Key:

IKKRGORQBKUVHQ-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(Br)c2c(c1)sc(n2)N

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.941g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

287.131g/mol

Monoisotopic Mass:

285.941g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6