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Home Aldehydes 3-Chloro-4-methoxybenzaldehyde

3-Chloro-4-methoxybenzaldehyde

CAS No.:
4903-09-7
Catalog Number:
AG003J8B
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$50
- +
10g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$160
- +
100g
98%
In Stock USA
United States
$400
- +
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.013g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.592g/mol
Monoisotopic Mass:
170.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties