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81718-68-5 | 2-Benzofurancarboxamide,7-chloro-N,N,3-trimethyl-
CAS No: 81718-68-5 Catalog No: AG005J05 MDL No:
Product Description
Catalog Number:
AG005J05
Chemical Name:
2-Benzofurancarboxamide,7-chloro-N,N,3-trimethyl-
CAS Number:
81718-68-5
Molecular Formula:
C12H12ClNO2
Molecular Weight:
237.6822
IUPAC Name:
7-chloro-N,N,3-trimethyl-1-benzofuran-2-carboxamide
InChI:
InChI=1S/C12H12ClNO2/c1-7-8-5-4-6-9(13)11(8)16-10(7)12(15)14(2)3/h4-6H,1-3H3
InChI Key:
PRXZWMIZJSUOQF-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1oc2c(c1C)cccc2Cl)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.683g/mol
Monoisotopic Mass:
237.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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