1,1,3-tris(2-chloroethyl)-3-nitrosourea

1,1,3-tris(2-chloroethyl)-3-nitrosourea

CAS: 69113-01-5

Formula: C7H12Cl3N3O2

SMILES: ClCCN(CCCl)C(=O)N(CCCl)N=O

IUPAC: 1,1,3-tris(2-chloroethyl)-3-nitrosourea

InChI: InChI=1S/C7H12Cl3N3O2/c8-1-4-12(5-2-9)7(14)13(11-15)6-3-10/h1-6H2

Composition: C (30.40%), H (4.37%), Cl (38.46%), N (15.20%), O (11.57%)

Molar Mass: 276.54

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	274.9995097
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KIRNCVMRJCUYPS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.22
Topological Polar Surface Area	52.98
Polarizability	22.86
Ring Count	0
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	69113-01-5		$1,487.30-$2,827.62$1,487.30$2,827.62