methyl 7-chloro-7-oxoheptanoate

methyl 7-chloro-7-oxoheptanoate

Formula: C8H13ClO3

SMILES: COC(=O)CCCCCC(Cl)=O

IUPAC: methyl 7-chloro-7-oxoheptanoate

InChI: InChI=1S/C8H13ClO3/c1-12-8(11)6-4-2-3-5-7(9)10/h2-6H2,1H3

Composition: C (49.88%), H (6.80%), Cl (18.40%), O (24.92%)

Molar Mass: 192.64

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	192.055322
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QQVKQGBPSKQBNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.97
Topological Polar Surface Area	43.37
Polarizability	18.26
Ring Count	0
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H13ClO3		Quote Only