4-chlorosulfanyl-3-nitrobenzoic acid
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4-chlorosulfanyl-3-nitrobenzoic acid
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CAS No:
19961-56-9
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Formula:
C7H4ClNO4S
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Chemical Name:
4-chlorosulfanyl-3-nitrobenzoic acid
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Synonyms:
4-Carboxy-2-nitro-benzol-sulfenylchlorid; 2-Nitro-4-carboxyphenylsulfenyl chloride; 2-Nitro-4-carboxyphenylsulfenylchlorid; BIN0420; 4-Chlormercapto-3-nitro-benzoesaeure; 2-Ncpsc; Benzoic acid,4-(chlorothio)-3-nitro; 4-chloromercapto-3-nitro-benzoic acid;Expand
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CAS No:
4-chlorosulfanyl-3-nitrobenzoic acid Basic Attributes
233.62900
232.9549565 g/mol
DTXSID40173747
2930909090
Characteristics
108.42000
3.06210
1.68g/cm3
470.9ºC at 760mmHg
238.6ºC
1.673
Store at -20ºC
1.14E-09mmHg at 25°C
Computed Properties
Molecular Weight:233.63
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:232.9549565
Monoisotopic Mass:232.9549565
Topological Polar Surface Area:108
Heavy Atom Count:14
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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