Name: Name:2-Thiophenecarboxylic acid, 5-amino-3-(bromomethyl)-4-cyano-, ethylester
Brand: Angene
SKU: AG00IF35
Rating: 90 (10 reviews)

2-Thiophenecarboxylic acid, 5-amino-3-(bromomethyl)-4-cyano-, ethylester

CAS No.:

88399-80-8

Catalog Number:

AG00IF35

Molecular Formula:

C9H9BrN2O2S

Molecular Weight:

289.1490

Catalog Number:

AG00IF35

Chemical Name:

2-Thiophenecarboxylic acid, 5-amino-3-(bromomethyl)-4-cyano-, ethylester

CAS Number:

88399-80-8

Molecular Formula:

C9H9BrN2O2S

Molecular Weight:

289.1490

MDL Number:

MFCD00520813

IUPAC Name:

ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate

InChI:

InChI=1S/C9H9BrN2O2S/c1-2-14-9(13)7-5(3-10)6(4-11)8(12)15-7/h2-3,12H2,1H3

InChI Key:

HRHLZMXUTKCAEU-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1sc(c(c1CBr)C#N)N

Complexity:

291

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

287.957g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

289.147g/mol

Monoisotopic Mass:

287.957g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6