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14628-36-5 | 3,6-Pyridazinedione, 1-[[bis(2-chloroethyl)amino]methyl]-1,2-dihydro-
CAS No: 14628-36-5 Catalog No: AG001DU7 MDL No:
Product Description
Catalog Number:
AG001DU7
Chemical Name:
3,6-Pyridazinedione, 1-[[bis(2-chloroethyl)amino]methyl]-1,2-dihydro-
CAS Number:
14628-36-5
Molecular Formula:
C9H13Cl2N3O2
Molecular Weight:
266.1244
IUPAC Name:
2-[bis(2-chloroethyl)aminomethyl]-1H-pyridazine-3,6-dione
InChI:
InChI=1S/C9H13Cl2N3O2/c10-3-5-13(6-4-11)7-14-9(16)2-1-8(15)12-14/h1-2H,3-7H2,(H,12,15)
InChI Key:
ZKNUBXXCWDUQIV-UHFFFAOYSA-N
SMILES:
ClCCN(Cn1[nH]c(=O)ccc1=O)CCCl
NSC Number:
92556
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.122g/mol
Monoisotopic Mass:
265.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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