Home Halogens ethyl 5-chloro-1H,1aH,6H,6aH-cyclopropa[a]indene-1-carboxylate

ethyl 5-chloro-1H,1aH,6H,6aH-cyclopropa[a]indene-1-carboxylate

CAS No.:
2044796-16-7
Catalog Number:
AG01BUSO
Molecular Formula:
C13H13ClO2
Molecular Weight:
236.6941
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Product Description
Catalog Number:
AG01BUSO
Chemical Name:
ethyl 5-chloro-1H,1aH,6H,6aH-cyclopropa[a]indene-1-carboxylate
CAS Number:
2044796-16-7
Molecular Formula:
C13H13ClO2
Molecular Weight:
236.6941
MDL Number:
MFCD30476173
IUPAC Name:
ethyl 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
InChI:
InChI=1S/C13H13ClO2/c1-2-16-13(15)12-9-6-8-7(11(9)12)4-3-5-10(8)14/h3-5,9,11-12H,2,6H2,1H3
InChI Key:
MYVRUTSAZYJHCF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C2C1c1c(C2)c(Cl)ccc1
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.06g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.695g/mol
Monoisotopic Mass:
236.06g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties