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19078-90-1 | 1,3-Isobenzofurandione, 4-chloro-3a,4,7,7a-tetrahydro-
CAS No: 19078-90-1 Catalog No: AG002ETF MDL No:
Product Description
Catalog Number:
AG002ETF
Chemical Name:
1,3-Isobenzofurandione, 4-chloro-3a,4,7,7a-tetrahydro-
CAS Number:
19078-90-1
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
IUPAC Name:
4-chloro-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
InChI:
InChI=1S/C8H7ClO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1,3-6H,2H2
InChI Key:
WASUTDDRWBANJH-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1C(Cl)C=CC2
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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