CAS 4903-09-7 | 3-Chloro-4-methoxybenzaldehyde | CAS Number 4903-09-7

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4903-09-7 | 3-Chloro-4-methoxybenzaldehyde

CAS No: 4903-09-7 Catalog No: AG003J8B MDL No:MFCD00016601

Product Description

Catalog Number:

AG003J8B

Chemical Name:

3-Chloro-4-methoxybenzaldehyde

CAS Number:

4903-09-7

Molecular Formula:

C8H7ClO2

Molecular Weight:

170.5930

MDL Number:

MFCD00016601

IUPAC Name:

3-chloro-4-methoxybenzaldehyde

InChI:

InChI=1S/C8H7ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3

InChI Key:

WYVGYYIZXPXHAZ-UHFFFAOYSA-N

SMILES:

O=Cc1ccc(c(c1)Cl)OC

EC Number:

225-532-2

Properties

Complexity:

138

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

170.592g/mol

Monoisotopic Mass:

170.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
FT-Raman and infrared spectra and vibrational assignments for 3-chloro-4-methoxybenzaldehyde, as supported by ab initio, hybrid density functional theory and normal coordinate calculations.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101