3-(Bis(2-chloroethyl)amino)-4-methylbenzoic acid
3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid
Also Known As: Alkyrom|Iob 82|IOB-82|IOB82|3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid|3-Bis(2-chloroethyl)amino-p-toluic acid|3-(Bis(2-chloroethyl)amino)-4-methylbenzoic acid|3-Bis(2-chloroethyl)amino-4-methylbenzoic acid|p-Toluic acid, 3-bis(2-chloroethyl)amino-|BAS 00535198|Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-|3-Diaethylchloramino-4-methyl-benzoesaeure|Benzoic acid, 3-bis(2-chloroethyl)amino-4-methyl-|p-Toluic acid, 3-[bis(2-chloroethyl)amino]-|3-[Bis(2-chloroethyl)amino]-p-toluic acid|4-methyl-3-bis(2-chloroethyl)aminobenzoic acid|2-propanol,1-[2-(2-hydroxyethoxy)ethoxy]-|Benzoic acid, 3-[bis(2-chloroethyl)amino]-4-methyl-|BIS-CHLOROETHYLAMINO METHYLBENZOIC ACID|4-methyl-3-bis(2-chloroethyl)amino benzoic acid|P-TOLUIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-|3-(N,N-BIS(2-CHLOROETHYL)AMINO)-P-TOLUIC ACID|3-[Bis-(2-chloro-ethyl)-amino]-4-methyl-benzoic acid|BIS-CHLOROETHYLAMINO METHYLBENZOIC ACID [WHO-DD]|BIS(2-CHLOROETHYL)AMINO-4-METHYLBENZOIC ACID, 3-|3-(N,N'-BIS(2-CHLOROETHYL)AMINO)-4-METHYLBENZOIC ACID
| Molecular Formula | C12H15Cl2NO2 |
|---|---|
| Molecular Weight | 275.04797 g/mol |
| LogP | 2.98 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.04797 |
| Heavy Atoms | 17 |
| Complexity | 390.1 |
Chemical Identifiers
| CAS Number | 5977-35-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N(CCCl)CCCl |
Product Overview
3-(Bis(2-chloroethyl)amino)-4-methylbenzoic acid (CAS 5977-35-5), with molecular formula C12H15Cl2NO2 and molecular weight 275.04797 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid.
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