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146463-74-3 | 2H-1-Benzopyran-2-one, 4-(chloromethyl)-6,7-dimethyl-
CAS No: 146463-74-3 Catalog No: AG001E1F MDL No:MFCD03848127
Product Description
Catalog Number:
AG001E1F
Chemical Name:
2H-1-Benzopyran-2-one, 4-(chloromethyl)-6,7-dimethyl-
CAS Number:
146463-74-3
Molecular Formula:
C12H11ClO2
Molecular Weight:
222.6675
MDL Number:
MFCD03848127
IUPAC Name:
4-(chloromethyl)-6,7-dimethylchromen-2-one
InChI:
InChI=1S/C12H11ClO2/c1-7-3-10-9(6-13)5-12(14)15-11(10)4-8(7)2/h3-5H,6H2,1-2H3
InChI Key:
CLYXXOOLIRDIPC-UHFFFAOYSA-N
SMILES:
ClCc1cc(=O)oc2c1cc(C)c(c2)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.668g/mol
Monoisotopic Mass:
222.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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