Home Halogens 3-Bromo-4-methoxybenzotrifluoride

3-Bromo-4-methoxybenzotrifluoride

CAS No.:
402-10-8
Catalog Number:
AG00C8N8
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$94
- +
100g
98%
In Stock USA
United States
$282
- +
500g
98%
In Stock USA
United States
$994
- +
Product Description
Catalog Number:
AG00C8N8
Chemical Name:
3-Bromo-4-methoxybenzotrifluoride
CAS Number:
402-10-8
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
MDL Number:
MFCD03789249
IUPAC Name:
2-bromo-1-methoxy-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6BrF3O/c1-13-7-3-2-5(4-6(7)9)8(10,11)12/h2-4H,1H3
InChI Key:
OWUAHASLKZBQTD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Br)C(F)(F)F
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.955g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.034g/mol
Monoisotopic Mass:
253.955g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties