200,000+ products from a single source!
sales@angenechem.com
133116-87-7 | 4(3H)-Quinazolinone, 2,6-diamino-5-(trifluoromethyl)-
CAS No: 133116-87-7 Catalog No: AG0014AP MDL No:
Product Description
Catalog Number:
AG0014AP
Chemical Name:
4(3H)-Quinazolinone, 2,6-diamino-5-(trifluoromethyl)-
CAS Number:
133116-87-7
Molecular Formula:
C9H7F3N4O
Molecular Weight:
244.1733
IUPAC Name:
2,6-diamino-5-(trifluoromethyl)-3H-quinazolin-4-one
InChI:
InChI=1S/C9H7F3N4O/c10-9(11,12)6-3(13)1-2-4-5(6)7(17)16-8(14)15-4/h1-2H,13H2,(H3,14,15,16,17)
InChI Key:
LSSQJZRSDOVPKZ-UHFFFAOYSA-N
SMILES:
Nc1nc2ccc(c(c2c(=O)[nH]1)C(F)(F)F)N
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.177g/mol
Monoisotopic Mass:
244.057g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.