4-[Bis(2-bromoethyl)amino]benzoic acid (CAS 2045-18-3) — formula C11H13Br2NO2, molecular weight 351.03; category organic chemicals.
4-[Bis(2-bromoethyl)amino]benzoic acid is a carbon-based organic compound with CAS registry number 2045-18-3 and molecular formula C11H13Br2NO2 (molecular weight 351.03), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2045-18-3
Its molecular formula C11H13Br2NO2 comprises 11 C, 13 H, 2 Br, 1 N, 2 O atoms.
Also known as: 4-[Bis(2-bromoethyl)amino]benzoic acid · 4-[双(2-溴乙基)氨基]苯甲酸
Category: organic chemicals
The CAS registry number of 4-[Bis(2-bromoethyl)amino]benzoic acid is 2045-18-3.
Molecular formula C11H13Br2NO2, molecular weight 351.03.
It is also registered under: 4-[Bis(2-bromoethyl)amino]benzoic acid, 4-[双(2-溴乙基)氨基]苯甲酸.
Category: Organic Chemicals.
Public-database records for 4-[Bis(2-bromoethyl)amino]benzoic acid (CAS 2045-18-3), reproduced here for independent cross-checking.
| CAS 号 | 2045-18-3 |
|---|---|
| PubChem CID | 16283 |
| 分子式 | C11H13Br2NO2 |
| IUPAC 名称 | 4-[bis(2-bromoethyl)amino]benzoic acid |
BRN 2737221; BENZOIC ACID, p-(BIS(2-BROMOETHYL)AMINO)-; 2045-18-3; p-(Bis(2-bromoethyl)amino)benzoic acid; DTXSID90174401; RefChem:327838; DTXCID1096892; 4-[bis(2-bromoethyl)amino]benzoic acid; 4-[N,N-Bis(2-bromoethyl)amino]benzoic acid; SCHEMBL7460843; CHEMBL3246928; PDMWTJJWTBLAOZ-UHFFFAOYSA-N
| 分子量 | 351.03 |
|---|---|
| XLogP3 | 3.1 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 6 |
| 精确质量 | 350.92925 |
| 单同位素质量 | 348.93130 |
| 拓扑极性表面积 | 40.5 |
| 重原子数 | 16 |
| 形式电荷 | 0 |
4-[双(2-溴乙基)氨基]苯甲酸 · CAS 2045-18-3 · C11H13Br2NO2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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