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26018-45-1 | 2-Benzofurancarboxylic acid, 7-chloro-2,3-dihydro-
CAS No: 26018-45-1 Catalog No: AG002REE MDL No:MFCD14705069
Product Description
Catalog Number:
AG002REE
Chemical Name:
2-Benzofurancarboxylic acid, 7-chloro-2,3-dihydro-
CAS Number:
26018-45-1
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
MDL Number:
MFCD14705069
IUPAC Name:
7-chloro-2,3-dihydro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H7ClO3/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-3,7H,4H2,(H,11,12)
InChI Key:
KSSRTMJGUNWSTN-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(O1)c(Cl)ccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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