Home Nitriles 3-Formyl-5-(trifluoromethyl)benzonitrile

3-Formyl-5-(trifluoromethyl)benzonitrile

CAS No.:
569370-39-4
Catalog Number:
AG00IA5R
Molecular Formula:
C9H4F3NO
Molecular Weight:
199.1294
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$438
- +
5g
98%
In Stock USA
United States
$1375
- +
Product Description
Catalog Number:
AG00IA5R
Chemical Name:
3-Formyl-5-(trifluoromethyl)benzonitrile
CAS Number:
569370-39-4
Molecular Formula:
C9H4F3NO
Molecular Weight:
199.1294
MDL Number:
MFCD22544347
IUPAC Name:
3-formyl-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H4F3NO/c10-9(11,12)8-2-6(4-13)1-7(3-8)5-14/h1-3,5H
InChI Key:
MSXKEYLXULZEBC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C#N)cc(c1)C(F)(F)F
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.132g/mol
Monoisotopic Mass:
199.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties