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116854-70-7 | 2H-1-Benzopyran-2-one, 4-(chloromethyl)-7-ethoxy-
CAS No: 116854-70-7 Catalog No: AG000DBK MDL No:
Product Description
Catalog Number:
AG000DBK
Chemical Name:
2H-1-Benzopyran-2-one, 4-(chloromethyl)-7-ethoxy-
CAS Number:
116854-70-7
Molecular Formula:
C12H11ClO3
Molecular Weight:
238.6669
IUPAC Name:
4-(chloromethyl)-7-ethoxychromen-2-one
InChI:
InChI=1S/C12H11ClO3/c1-2-15-9-3-4-10-8(7-13)5-12(14)16-11(10)6-9/h3-6H,2,7H2,1H3
InChI Key:
RWMRBNNWQLUEFX-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)oc(=O)cc2CCl
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.667g/mol
Monoisotopic Mass:
238.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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