4-chlorobutyl carbonochloridate

4-chlorobutyl carbonochloridate

CAS: 37693-18-8

Formula: C5H8Cl2O2

SMILES: ClCCCCOC(Cl)=O

IUPAC: 4-chlorobutyl carbonochloridate

InChI: InChI=1S/C5H8Cl2O2/c6-3-1-2-4-9-5(7)8/h1-4H2

Composition: C (35.12%), H (4.72%), Cl (41.46%), O (18.71%)

Molar Mass: 171.02

Atom Count: 17

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	169.9901349
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OTDWRXBRYNVCDN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.98
Topological Polar Surface Area	26.3
Polarizability	14.58
Ring Count	0
Rotatable Bond Count	5

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