Home Halogens 7-chloro-5-methylbenzofuran-3(2H)-one

7-chloro-5-methylbenzofuran-3(2H)-one

CAS No.:
3261-10-7
Catalog Number:
AG01C9MM
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
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Product Description
Catalog Number:
AG01C9MM
Chemical Name:
7-chloro-5-methylbenzofuran-3(2H)-one
CAS Number:
3261-10-7
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
MDL Number:
MFCD16842066
IUPAC Name:
7-chloro-5-methyl-1-benzofuran-3-one
InChI:
InChI=1S/C9H7ClO2/c1-5-2-6-8(11)4-12-9(6)7(10)3-5/h2-3H,4H2,1H3
InChI Key:
TTWBRSXCYFWVFJ-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)c2c(c1)C(=O)CO2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.013g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.603g/mol
Monoisotopic Mass:
182.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties