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199596-64-0 | 4H-1-Benzopyran-4-one, 7-chloro-2-(dimethylamino)-
CAS No: 199596-64-0 Catalog No: AG002C7E MDL No:
Product Description
Catalog Number:
AG002C7E
Chemical Name:
4H-1-Benzopyran-4-one, 7-chloro-2-(dimethylamino)-
CAS Number:
199596-64-0
Molecular Formula:
C11H10ClNO2
Molecular Weight:
223.6556
IUPAC Name:
7-chloro-2-(dimethylamino)chromen-4-one
InChI:
InChI=1S/C11H10ClNO2/c1-13(2)11-6-9(14)8-4-3-7(12)5-10(8)15-11/h3-6H,1-2H3
InChI Key:
ONTPYYJSPQYZQN-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)oc(cc2=O)N(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.656g/mol
Monoisotopic Mass:
223.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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