4-[3-(2-Chloroethyl)-3-nitrosoureido]-2,6-dimethylbenzoic acid (CAS 33054-79-4) — formula C12H14ClN3O4, molecular weight 299.71; category organic chemicals.
| CAS Number | 33054-79-4 |
|---|---|
| Molecular Formula | C12H14ClN3O4 |
| Molecular Weight | 299.71 |
| LogP | 2.7 |
| Category | Organic Chemicals |
4-[3-(2-Chloroethyl)-3-nitrosoureido]-2,6-dimethylbenzoic acid is a carbon-based organic compound with CAS registry number 33054-79-4 and molecular formula C12H14ClN3O4 (molecular weight 299.71), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 33054-79-4
Its molecular formula C12H14ClN3O4 comprises 12 C, 14 H, 1 Cl, 3 N, 4 O atoms.
Also known as: 4-[3-(2-Chloroethyl)-3-nitrosoureido]-2,6-dimethylbenzoic acid · 4-[3-(2-氯乙基)-3-亚硝基脲基]-2,6-二甲基苯甲酸
Category: organic chemicals
The CAS registry number of 4-[3-(2-Chloroethyl)-3-nitrosoureido]-2,6-dimethylbenzoic acid is 33054-79-4.
Molecular formula C12H14ClN3O4, molecular weight 299.71.
It is also registered under: 4-[3-(2-Chloroethyl)-3-nitrosoureido]-2,6-dimethylbenzoic acid, 4-[3-(2-氯乙基)-3-亚硝基脲基]-2,6-二甲基苯甲酸.
Category: Organic Chemicals.
Independent reference data for 4-[3-(2-Chloroethyl)-3-nitrosoureido]-2,6-dimethylbenzoic acid (CAS 33054-79-4), compiled from public chemistry databases.
| CAS 号 | 33054-79-4 |
|---|---|
| PubChem CID | 36309 |
| 分子式 | C12H14ClN3O4 |
| IUPAC 名称 | 4-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,6-dimethylbenzoic acid |
| Molecular Weight | 299.71 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 299.0672836 |
| Monoisotopic Mass | 299.0672836 |
| Topological Polar Surface Area | 99.1 |
| Heavy Atom Count | 20 |
BRN 2172034; BENZOIC ACID, 4-(3-(2-CHLOROETHYL)-3-NITROSOUREIDO)-2,6-DIMETHYL-; 33054-79-4; 4-(1-(2-Chloroethyl)-1-nitrosoureido)-2,6-dimethylbenzoic acid; DTXSID00186712; 1-(2-Chloroethyl)-1-nitroso-3-(4-carboxy-3,5-dimethylphenyl)urea; Urea, 1-(2-chloroethyl)-1-nitroso-3-(4-carboxy-3,5-dimethylphenyl)-; RefChem:327425; DTXCID40109203; 4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}-2,6-dimethylbenzoic acid
4-[3-(2-氯乙基)-3-亚硝基脲基]-2,6-二甲基苯甲酸 · CAS 33054-79-4 · C12H14ClN3O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.