Home Carboxys 2-Chloro-4-(difluoromethyl)pyrimidine-5-carboxylic acid

2-Chloro-4-(difluoromethyl)pyrimidine-5-carboxylic acid

CAS No.:
1260827-00-6
Catalog Number:
AG000RE7
Molecular Formula:
C6H3ClF2N2O2
Molecular Weight:
208.5500
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$371
- +
1g
95%
1 week
United States
$870
- +
Product Description
Catalog Number:
AG000RE7
Chemical Name:
2-Chloro-4-(difluoromethyl)pyrimidine-5-carboxylic acid
CAS Number:
1260827-00-6
Molecular Formula:
C6H3ClF2N2O2
Molecular Weight:
208.5500
MDL Number:
MFCD11847960
IUPAC Name:
2-chloro-4-(difluoromethyl)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H3ClF2N2O2/c7-6-10-1-2(5(12)13)3(11-6)4(8)9/h1,4H,(H,12,13)
InChI Key:
XWKAETLDPYYHPJ-UHFFFAOYSA-N
SMILES:
FC(c1nc(Cl)ncc1C(=O)O)F
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.549g/mol
Monoisotopic Mass:
207.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties