CAS 4701-17-1 | 5-Bromo-2-thiophenecarboxaldehyde | CAS Number 4701-17-1

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4701-17-1 | 5-Bromo-2-thiophenecarboxaldehyde

CAS No: 4701-17-1 Catalog No: AG0037UQ MDL No:MFCD00005432

Product Description

Catalog Number:

AG0037UQ

Chemical Name:

5-Bromo-2-thiophenecarboxaldehyde

CAS Number:

4701-17-1

Molecular Formula:

C5H3BrOS

Molecular Weight:

191.0457

MDL Number:

MFCD00005432

IUPAC Name:

5-bromothiophene-2-carbaldehyde

InChI:

InChI=1S/C5H3BrOS/c6-5-2-1-4(3-7)8-5/h1-3H

InChI Key:

GFBVUFQNHLUCPX-UHFFFAOYSA-N

SMILES:

Brc1ccc(s1)C=O

EC Number:

225-176-8

Properties

Complexity:

96.4

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

189.909g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

191.042g/mol

Monoisotopic Mass:

189.909g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Biological and Spectral Studies of Newly Synthesized Triazole Schiff Bases and Their Si(IV), Sn(IV) Complexes.	Bioinorganic chemistry and applications 20110101
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601