2-[(2-Chloro-4-pyrimidinyl)amino]-benzoic acid
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![2-[(2-Chloro-4-pyrimidinyl)amino]-benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d90039b709dc43dcbce9e872d0df492e.png "2-[(2-Chloro-4-pyrimidinyl)amino]-benzoic acid")
2-[(2-Chloro-4-pyrimidinyl)amino]-benzoic acid
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CAS No:
31185-80-5
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Formula:
C11H8ClN3O2
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Chemical Name:
2-[(2-Chloro-4-pyrimidinyl)amino]-benzoic acid
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Synonyms:
2-[(2-chloropyrimidin-4-yl)amino]benzoic acid;2-Chloro-4-(o-carboxyphenylamino)pyrimidine;MLS000714053;SMR000273533;Benzoic acid, 2-[(2-chloro-4-pyrimidinyl)amino]-;2-((2-Chloropyrimidin-4-yl)amino)benzoic acid;2-[(2-Chloro-4-pyrimidinyl)amino]-benzoicacid;CHEMBL1605993;SCHEMBL11269404;BDBM69309
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CAS No:
2-[(2-Chloro-4-pyrimidinyl)amino]-benzoic acid Basic Attributes
249.654
249.03100
DTXSID50365671
2933599090
Characteristics
75.1
1.99370
1.5g/cm3
>220 °C (decomp)
493.9ºC at 760 mmHg
252.5ºC
1.69
>37.4 [ug/mL]
Computed Properties
Molecular Weight:249.65
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:249.0305042
Monoisotopic Mass:249.0305042
Topological Polar Surface Area:75.1
Heavy Atom Count:17
Complexity:277
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[(2-Chloro-4-pyrimidinyl)amino]-benzoic acid
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