Benzoic acid, 2-chloro-4-cyano- (CAS 117738-77-9) — formula C8H4ClNO2, molecular weight 181.57; category organic chemicals.
Benzoic acid, 2-chloro-4-cyano- is a carbon-based organic compound with CAS registry number 117738-77-9 and molecular formula C8H4ClNO2 (molecular weight 181.57), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 117738-77-9
Its molecular formula C8H4ClNO2 comprises 8 C, 4 H, 1 Cl, 1 N, 2 O atoms.
Also known as: Benzoic acid, 2-chloro-4-cyano-
Category: organic chemicals
The CAS registry number of Benzoic acid, 2-chloro-4-cyano- is 117738-77-9.
Molecular formula C8H4ClNO2, molecular weight 181.57.
It is also registered under: Benzoic acid, 2-chloro-4-cyano-.
Category: Organic Chemicals.
Public-database records for Benzoic acid, 2-chloro-4-cyano- (CAS 117738-77-9), reproduced here for independent cross-checking.
| CAS Registry Number | 117738-77-9 |
|---|---|
| PubChem CID | 231894 |
| 分子式 | C8H4ClNO2 |
| IUPAC 名称 | 2-chloro-4-cyanobenzoic acid |
2-chloro-4-cyanobenzoic acid; 117738-77-9; Benzoic acid, 2-chloro-4-cyano-; MFCD11036377; NSC28694; 2-chloro-4-cyanobenzoicacid; SCHEMBL508503; 2-chloro-4-cyano-benzoic acid; VTROYYKGGOPEPS-UHFFFAOYSA-N; NSC-28694; AKOS006306780; DS-9258; PB47135; SY021876; DB-355640; CS-0042704
| 分子量 | 181.57 |
|---|---|
| XLogP3 | 1.9 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 1 |
| 精确质量 | 180.9930561 |
| 单同位素质量 | 180.9930561 |
| 拓扑极性表面积 | 61.1 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
Benzoic acid, 2-chloro-4-cyano- · CAS 117738-77-9 · C8H4ClNO2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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