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230293-44-4 | 2-Benzofurancarboxylic acid, 5-chloro-2,3-dihydro-3-methyl-
CAS No: 230293-44-4 Catalog No: AG002LWT MDL No:
Product Description
Catalog Number:
AG002LWT
Chemical Name:
2-Benzofurancarboxylic acid, 5-chloro-2,3-dihydro-3-methyl-
CAS Number:
230293-44-4
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
IUPAC Name:
5-chloro-3-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H9ClO3/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-5,9H,1H3,(H,12,13)
InChI Key:
LNHKNRUQTUAZKO-UHFFFAOYSA-N
SMILES:
OC(=O)C1Oc2c(C1C)cc(cc2)Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.629g/mol
Monoisotopic Mass:
212.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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