200,000+ products from a single source!
sales@angenechem.com
13909-26-7 | Benzoic acid, 4-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-, ethyl ester
CAS No: 13909-26-7 Catalog No: AG001A8B MDL No:
Product Description
Catalog Number:
AG001A8B
Chemical Name:
Benzoic acid, 4-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-, ethyl ester
CAS Number:
13909-26-7
Molecular Formula:
C12H14ClN3O4
Molecular Weight:
299.7103
IUPAC Name:
ethyl 4-[[2-chloroethyl(nitroso)carbamoyl]amino]benzoate
InChI:
InChI=1S/C12H14ClN3O4/c1-2-20-11(17)9-3-5-10(6-4-9)14-12(18)16(15-19)8-7-13/h3-6H,2,7-8H2,1H3,(H,14,18)
InChI Key:
PBVQERAEORYKDE-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)Nc1ccc(cc1)C(=O)OCC)N=O
NSC Number:
84524
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.711g/mol
Monoisotopic Mass:
299.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.