3-[4-(4-chloro-3-nitrophenyl)-1-oxophthalazin-2-yl]benzoic acid
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![3-[4-(4-chloro-3-nitrophenyl)-1-oxophthalazin-2-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/24a1aa75496f4bc69ec2b0067435d5c7.png "3-[4-(4-chloro-3-nitrophenyl)-1-oxophthalazin-2-yl]benzoic acid")
3-[4-(4-chloro-3-nitrophenyl)-1-oxophthalazin-2-yl]benzoic acid
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CAS No:
721916-26-3
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Formula:
C21H12ClN3O5
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Chemical Name:
3-[4-(4-chloro-3-nitrophenyl)-1-oxophthalazin-2-yl]benzoic acid
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Synonyms:
MLS001177882;CHEMBL1542641;ZINC3272923;AKOS000127804;MCULE-2759054739;SMR000592649;Z56870616;3-[4-(4-chloro-3-nitrophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]benzoic acid;721916-26-3
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CAS No:
3-[4-(4-chloro-3-nitrophenyl)-1-oxophthalazin-2-yl]benzoic acid Basic Attributes
421.8 g/mol
421.0465482 g/mol
Computed Properties
Molecular Weight:421.8
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:421.0465482
Monoisotopic Mass:421.0465482
Topological Polar Surface Area:116
Heavy Atom Count:30
Complexity:739
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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