Home Aldehydes 3-Methyl-5-(trifluoromethyl)benzaldehyde

3-Methyl-5-(trifluoromethyl)benzaldehyde

CAS No.:
116070-39-4
Catalog Number:
AG000BKE
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1025
- +
Product Description
Catalog Number:
AG000BKE
Chemical Name:
3-Methyl-5-(trifluoromethyl)benzaldehyde
CAS Number:
116070-39-4
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
MDL Number:
MFCD16652409
IUPAC Name:
3-methyl-5-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O/c1-6-2-7(5-13)4-8(3-6)9(10,11)12/h2-5H,1H3
InChI Key:
KFRRYUVXFZQWGS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)cc(c1)C(F)(F)F
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.149g/mol
Monoisotopic Mass:
188.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties