Home Halogens 4-Fluoro-2-methylbenzotrifluoride

4-Fluoro-2-methylbenzotrifluoride

CAS No.:
80245-26-7
Catalog Number:
AG00ID3P
Molecular Formula:
C8H6F4
Molecular Weight:
178.1269
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$92
- +
1g
98%
1 week
United States
$156
- +
5g
98%
1 week
United States
$448
- +
25g
98%
1 week
United States
$1420
- +
Product Description
Catalog Number:
AG00ID3P
Chemical Name:
4-Fluoro-2-methylbenzotrifluoride
CAS Number:
80245-26-7
Molecular Formula:
C8H6F4
Molecular Weight:
178.1269
MDL Number:
MFCD04972884
IUPAC Name:
4-fluoro-2-methyl-1-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F4/c1-5-4-6(9)2-3-7(5)8(10,11)12/h2-4H,1H3
InChI Key:
XBUKSKTZQURUDT-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C)C(F)(F)F
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.041g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.13g/mol
Monoisotopic Mass:
178.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties