Home Halogens 3-Bromo-4,5-diaminobenzotrifluoride

3-Bromo-4,5-diaminobenzotrifluoride

CAS No.:
113170-72-2
Catalog Number:
AG003J16
Molecular Formula:
C7H6BrF3N2
Molecular Weight:
255.0351
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$14
- +
5g
98%
In Stock USA
United States
$57
- +
10g
98%
In Stock USA
United States
$94
- +
25g
98%
In Stock USA
United States
$188
- +
100g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG003J16
Chemical Name:
3-Bromo-4,5-diaminobenzotrifluoride
CAS Number:
113170-72-2
Molecular Formula:
C7H6BrF3N2
Molecular Weight:
255.0351
MDL Number:
MFCD00042484
IUPAC Name:
3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
InChI:
InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2
InChI Key:
OVGAPUVMLZWQQF-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1N)Br)C(F)(F)F
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.967g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.038g/mol
Monoisotopic Mass:
253.967g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties