CAS 2420-16-8 | 3-Chloro-4-hydroxybenzaldehyde | CAS Number 2420-16-8

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Aldehydes > 2420-16-8

2420-16-8 | 3-Chloro-4-hydroxybenzaldehyde

CAS No: 2420-16-8 Catalog No: AG003J87 MDL No:MFCD00016981

Product Description

Catalog Number:

AG003J87

Chemical Name:

3-Chloro-4-hydroxybenzaldehyde

CAS Number:

2420-16-8

Molecular Formula:

C7H5ClO2

Molecular Weight:

156.5664

MDL Number:

MFCD00016981

IUPAC Name:

3-chloro-4-hydroxybenzaldehyde

InChI:

InChI=1S/C7H5ClO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H

InChI Key:

VGSOCYWCRMXQAB-UHFFFAOYSA-N

SMILES:

O=Cc1ccc(c(c1)Cl)O

NSC Number:

85482

Properties

Complexity:

127

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

155.998g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

156.565g/mol

Monoisotopic Mass:

155.998g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
2-Chloro-4-{(E)-[(4-chloro-phen-yl)imino]-meth-yl}phenol.	Acta crystallographica. Section E, Structure reports online 20120301
Hydrogen bond, dimerization and vibrational modes in 2-chloro-3-hydroxybenzaldehyde and 3-chloro-4-hydroxybenzaldehyde from vibrational and ab initio studies.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20101201