Name: Name:3-CHLORO-6-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Brand: Angene
SKU: AG01DWIU
Rating: 90 (10 reviews)

3-CHLORO-6-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

CAS No.:

59812-36-1

Catalog Number:

AG01DWIU

Molecular Formula:

C10H6ClNO4S

Molecular Weight:

271.6769

Catalog Number:

AG01DWIU

Chemical Name:

3-CHLORO-6-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

CAS Number:

59812-36-1

Molecular Formula:

C10H6ClNO4S

Molecular Weight:

271.6769

MDL Number:

MFCD01335901

IUPAC Name:

methyl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate

InChI:

InChI=1S/C10H6ClNO4S/c1-16-10(13)9-8(11)6-3-2-5(12(14)15)4-7(6)17-9/h2-4H,1H3

InChI Key:

VFXPDLXMSOHMNK-UHFFFAOYSA-N

SMILES:

COC(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

Complexity:

335

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.971g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

271.671g/mol

Monoisotopic Mass:

270.971g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

100A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6