Home Carbonyls 3,4-Dimethylbenzene-1-carbonyl chloride

3,4-Dimethylbenzene-1-carbonyl chloride

CAS No.:
21900-23-2
Catalog Number:
AG006YPD
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$53
- +
5g
96%
In Stock USA
United States
$198
- +
25g
96%
In Stock USA
United States
$493
- +
Product Description
Catalog Number:
AG006YPD
Chemical Name:
3,4-Dimethylbenzene-1-carbonyl chloride
CAS Number:
21900-23-2
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
MDL Number:
MFCD20639097
IUPAC Name:
3,4-dimethylbenzoyl chloride
InChI:
InChI=1S/C9H9ClO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3
InChI Key:
RGAKSNQOIIYQRM-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(c(c1)C)C
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.034g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.62g/mol
Monoisotopic Mass:
168.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties