Benzoic acid, 4-isocyano-, methyl ester (9CI)
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Benzoic acid, 4-isocyano-, methyl ester (9CI)
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CAS No:
198476-21-0
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Formula:
C9H7NO2
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Chemical Name:
Benzoic acid, 4-isocyano-, methyl ester (9CI)
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Synonyms:
Methyl 4-isocyanobenzoate;198476-21-0;Methyl-4-isocyanobenzoate;SCHEMBL999008;BENZOIC ACID, 4-ISOCYANO-, METHYL ESTER (9CI);CTK6I9842;4-Isocyanobenzoic acid methyl ester;ZINC95697939;AKOS006293686;Methyl 4-isocyanobenzoate, AldrichCPR
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CAS No:
Computed Properties
Molecular Weight:161.16
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:30.7
Heavy Atom Count:12
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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