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885271-53-4 | Ethyl 6,8-dichlorochroman-3-carboxylate
CAS No: 885271-53-4 Catalog No: AG00473E MDL No:MFCD04114618
Product Description
Catalog Number:
AG00473E
Chemical Name:
Ethyl 6,8-dichlorochroman-3-carboxylate
CAS Number:
885271-53-4
Molecular Formula:
C12H12Cl2O3
Molecular Weight:
275.1279
MDL Number:
MFCD04114618
IUPAC Name:
ethyl 6,8-dichloro-3,4-dihydro-2H-chromene-3-carboxylate
InChI:
InChI=1S/C12H12Cl2O3/c1-2-16-12(15)8-3-7-4-9(13)5-10(14)11(7)17-6-8/h4-5,8H,2-3,6H2,1H3
InChI Key:
NOEOJNTUKMBWHM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1COc2c(C1)cc(cc2Cl)Cl
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.125g/mol
Monoisotopic Mass:
274.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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