3-[bis(2-chloropropyl)amino]-4-methylbenzoic acid
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![3-[bis(2-chloropropyl)amino]-4-methylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/15d17e0773734d7baa255926d37cc553.png "3-[bis(2-chloropropyl)amino]-4-methylbenzoic acid")
3-[bis(2-chloropropyl)amino]-4-methylbenzoic acid
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CAS No:
54941-23-0
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Formula:
C14H19Cl2NO2
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Chemical Name:
3-[bis(2-chloropropyl)amino]-4-methylbenzoic acid
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Synonyms:
54941-23-0;BRN 2752405;3-(Bis(2-chloropropyl)amino)-p-toluic acid;IOB-340;p-Toluic acid, 3-(bis(2-chloropropyl)amino)-;3-[bis(2-chloropropyl)amino]-4-methylbenzoic acid;Benzoic acid, 3-(N,N-bis(2-chloropropyl)amino)-4-methyl-;DTXSID80970277
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CAS No:
Computed Properties
Molecular Weight:304.2
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:303.0792842
Monoisotopic Mass:303.0792842
Topological Polar Surface Area:40.5
Heavy Atom Count:19
Complexity:291
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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