Home Halogens 2H-1-Benzopyran-2-one,4-(chloromethyl)-7,8-dimethyl-

2H-1-Benzopyran-2-one,4-(chloromethyl)-7,8-dimethyl-

CAS No.:
41295-57-2
Catalog Number:
AG0072QB
Molecular Formula:
C12H11ClO2
Molecular Weight:
222.6675
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Product Description
Catalog Number:
AG0072QB
Chemical Name:
2H-1-Benzopyran-2-one,4-(chloromethyl)-7,8-dimethyl-
CAS Number:
41295-57-2
Molecular Formula:
C12H11ClO2
Molecular Weight:
222.6675
MDL Number:
MFCD03848129
IUPAC Name:
4-(chloromethyl)-7,8-dimethylchromen-2-one
InChI:
InChI=1S/C12H11ClO2/c1-7-3-4-10-9(6-13)5-11(14)15-12(10)8(7)2/h3-5H,6H2,1-2H3
InChI Key:
IVPYSAYHCFQONM-UHFFFAOYSA-N
SMILES:
ClCc1cc(=O)oc2c1ccc(c2C)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  
Properties