Home Aldehydes 4-iodo-2,5-dimethylbenzaldehyde

4-iodo-2,5-dimethylbenzaldehyde

CAS No.:
2126161-54-2
Catalog Number:
AG01EMC4
Molecular Formula:
C9H9IO
Molecular Weight:
260.0716
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EMC4
Chemical Name:
4-iodo-2,5-dimethylbenzaldehyde
CAS Number:
2126161-54-2
Molecular Formula:
C9H9IO
Molecular Weight:
260.0716
MDL Number:
MFCD31381396
IUPAC Name:
4-iodo-2,5-dimethylbenzaldehyde
InChI:
InChI=1S/C9H9IO/c1-6-4-9(10)7(2)3-8(6)5-11/h3-5H,1-2H3
InChI Key:
PHWCANJGUNVAAH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(cc1C)I
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.97g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.074g/mol
Monoisotopic Mass:
259.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties