Home Aldehydes 3-Methyl-4-(trifluoromethyl)benzaldehyde

3-Methyl-4-(trifluoromethyl)benzaldehyde

CAS No.:
951232-01-2
Catalog Number:
AG00IIR9
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$213
- +
5g
95%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG00IIR9
Chemical Name:
3-Methyl-4-(trifluoromethyl)benzaldehyde
CAS Number:
951232-01-2
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
MDL Number:
MFCD18399856
IUPAC Name:
3-methyl-4-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O/c1-6-4-7(5-13)2-3-8(6)9(10,11)12/h2-5H,1H3
InChI Key:
QQRFRROHBKANIX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C)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