N1-(2,3,4,5,6-pentachlorophenyl)propane-1,3-diamine

N1-(2,3,4,5,6-pentachlorophenyl)propane-1,3-diamine

CAS: 13047-77-3

Formula: C9H9Cl5N2

SMILES: NCCCNC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl

IUPAC: N1-(2,3,4,5,6-pentachlorophenyl)propane-1,3-diamine

InChI: InChI=1S/C9H9Cl5N2/c10-4-5(11)7(13)9(8(14)6(4)12)16-3-1-2-15/h16H,1-3,15H2

Composition: C (33.53%), H (2.81%), Cl (54.97%), N (8.69%)

Molar Mass: 322.44

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	319.9208368
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	NKPRURUZCABLLJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.09
Topological Polar Surface Area	38.05
Polarizability	28.2
Ring Count	1
Rotatable Bond Count	4

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