200,000+ products from a single source!
sales@angenechem.com
113942-48-6 | Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-, ethyl ester
CAS No: 113942-48-6 Catalog No: AG000A4G MDL No:
Product Description
Catalog Number:
AG000A4G
Chemical Name:
Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-, ethyl ester
CAS Number:
113942-48-6
Molecular Formula:
C9H10ClN5O3
Molecular Weight:
271.6604
IUPAC Name:
ethyl 3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
InChI:
InChI=1S/C9H10ClN5O3/c1-2-18-8(16)6-7-12-13-15(4-3-10)9(17)14(7)5-11-6/h5H,2-4H2,1H3
InChI Key:
IXFIBXQXPGNVJA-UHFFFAOYSA-N
SMILES:
ClCCn1nnc2n(c1=O)cnc2C(=O)OCC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.661g/mol
Monoisotopic Mass:
271.047g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.