200,000+ products from a single source!
sales@angenechem.com
1440964-21-5 | Benzoic acid, 5-chloro-2-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-
CAS No: 1440964-21-5 Catalog No: AG001IWV MDL No:
Product Description
Catalog Number:
AG001IWV
Chemical Name:
Benzoic acid, 5-chloro-2-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-
CAS Number:
1440964-21-5
Molecular Formula:
C14H12ClF3N4O3
Molecular Weight:
376.7183
IUPAC Name:
5-chloro-2-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
InChI:
InChI=1S/C14H12ClF3N4O3/c1-19-11-7(14(16,17)18)5-20-13(22-11)21-9-4-10(25-2)6(12(23)24)3-8(9)15/h3-5H,1-2H3,(H,23,24)(H2,19,20,21,22)
InChI Key:
CARAPDGZEHJJSE-UHFFFAOYSA-N
SMILES:
CNc1nc(ncc1C(F)(F)F)Nc1cc(OC)c(cc1Cl)C(=O)O
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.055g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
376.72g/mol
Monoisotopic Mass:
376.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.