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252031-70-2 | 3(2H)-Pyridazinone, 4-[(3-bromopropyl)amino]-5-chloro-
CAS No: 252031-70-2 Catalog No: AG002QXA MDL No:
Product Description
Catalog Number:
AG002QXA
Chemical Name:
3(2H)-Pyridazinone, 4-[(3-bromopropyl)amino]-5-chloro-
CAS Number:
252031-70-2
Molecular Formula:
C7H9BrClN3O
Molecular Weight:
266.5229
IUPAC Name:
5-(3-bromopropylamino)-4-chloro-1H-pyridazin-6-one
InChI:
InChI=1S/C7H9BrClN3O/c8-2-1-3-10-6-5(9)4-11-12-7(6)13/h4H,1-3H2,(H,10,11)(H,12,13)
InChI Key:
YPJDGPDZLPYDNJ-UHFFFAOYSA-N
SMILES:
Clc1cn[nH]c(=O)c1NCCCBr
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.962g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.523g/mol
Monoisotopic Mass:
264.962g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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