3-[bis(2-chloroethyl)amino]-4-ethylbenzoic acid
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![3-[bis(2-chloroethyl)amino]-4-ethylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/34c5825b047543a2b8830be9de6f1892.png "3-[bis(2-chloroethyl)amino]-4-ethylbenzoic acid")
3-[bis(2-chloroethyl)amino]-4-ethylbenzoic acid
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CAS No:
5977-03-7
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Formula:
C13H17Cl2NO2
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Chemical Name:
3-[bis(2-chloroethyl)amino]-4-ethylbenzoic acid
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Synonyms:
3-[bis(2-chloroethyl)amino]-4-ethylbenzoic acid;5977-03-7;BENZOIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-4-ETHYL-;3-(Bis(2-chloroethyl)amino)-4-ethylbenzoic acid;BRN 2752425;DTXSID10208499
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CAS No:
3-[bis(2-chloroethyl)amino]-4-ethylbenzoic acid Basic Attributes
290.18 g/mol
289.0636342 g/mol
DTXSID10208499
Computed Properties
Molecular Weight:290.18
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:289.0636342
Monoisotopic Mass:289.0636342
Topological Polar Surface Area:40.5
Heavy Atom Count:18
Complexity:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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