CAS: 118-45-6
名称: 5-chloro-2-benzofuran-1,3-dione
SMILES:
C1=CC2=C(C=C1Cl)C(=O)OC2=OMolecular Processing
Molecular formula
C8H3ClO3
Molecular weight
182.56
Exact mass
181.9771
XLogP
1.65
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
41.2
Supplementary Information
InChIKey: BTTRMCQEPDPCPA-UHFFFAOYSA-N
同義語
4-Chlorophthalic anhydride118-45-65-chloroisobenzofuran-1,3-dione5-Chloro-2-benzofuran-1,3-dione4-chlorophthalic acid anhydride1,3-Isobenzofurandione, 5-chloro-5-chlorophthalic anhydrideEINECS 204-251-9UNII-BPI93D0O61BPI93D0O61P-CHLOROPHTHALIC ANHYDRIDEDTXSID30151993EC 204-251-9PHTHALIC ANHYDRIDE, 4-CHLORO-RefChem:98612DTXCID9074484204-251-9BTTRMCQEPDPCPA-UHFFFAOYSA-NInChI=1/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3MFCD001523545-chloro-1,3-dihydro-2-benzofuran-1,3-dione5-chloro-isobenzofuran-1,3-dione4-Chlorophthalicanhydride4-chloro phthalic anhydrideSCHEMBL79617AAA11845BBL0282845-Chloro-2-benzofuran-1,3-dione #AKOS005255169CS-W019466
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