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88238-50-0 | 1(3H)-Isobenzofuranone, 3-(2-bromoethylidene)-6-chloro-, (Z)-
CAS No: 88238-50-0 Catalog No: AG004B1V MDL No:
Product Description
Catalog Number:
AG004B1V
Chemical Name:
1(3H)-Isobenzofuranone, 3-(2-bromoethylidene)-6-chloro-, (Z)-
CAS Number:
88238-50-0
Molecular Formula:
C10H6BrClO2
Molecular Weight:
273.5104
IUPAC Name:
3-(2-bromoethylidene)-6-chloro-2-benzofuran-1-one
InChI:
InChI=1S/C10H6BrClO2/c11-4-3-9-7-2-1-6(12)5-8(7)10(13)14-9/h1-3,5H,4H2
InChI Key:
KFXGWKPPVOFPHX-UHFFFAOYSA-N
SMILES:
BrC/C=C/1\OC(=O)c2c1ccc(c2)Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.924g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.51g/mol
Monoisotopic Mass:
271.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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